(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid

C135H136Cl6F20O32 — CID 160507917

IUPAC(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid
SMILESCC(C)(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(CCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(F)(F)Oc1ccc(OCCOc2ccc3c(c2)C[C@](C(=O)O)(C(C)(C)C)O3)c(Cl)c1.O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1
InChIInChI=1S/C24H26ClF3O5.2C23H24ClF3O5.C23H25ClF2O6.C21H17ClF6O5.C21H20ClF3O6/c1-22(2,3)23(21(29)30)14-16-12-17(6-8-19(16)33-23)31-9-4-10-32-20-7-5-15(11-18(20)25)13-24(26,27)28;1-14(2)22(21(28)29)13-16-11-17(5-7-19(16)32-22)30-8-3-9-31-20-6-4-15(10-18(20)24)12-23(25,26)27;1-14(2)22(21(28)29)13-16-11-15(6-8-19(16)32-22)5-3-4-10-30-20-9-7-17(12-18(20)24)31-23(25,26)27;1-21(2,3)23(20(27)28)13-14-11-15(5-7-18(14)32-23)29-9-10-30-19-8-6-16(12-17(19)24)31-22(4,25)26;22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28;1-12(2)20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-8-29-18-6-4-15(10-16(18)22)30-21(23,24)25/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,29,30);4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,28,29);6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,28,29);5-8,11-12H,9-10,13H2,1-4H3,(H,27,28);2-5,8-9H,1,6-7,10-11H2,(H,29,30);3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/t23-;2*22-;23-;;20-/m0110.1/s1
InChIKeyQSQSVRTVCIEXGN-HAWFWCNBSA-N
MW2863.22 g/mol
LogP34.18
Rot. Bonds50

About (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid

(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid (PubChem CID 160507917) has the molecular formula C135H136Cl6F20O32 and a molecular weight of 2863.22 g/mol. Its IUPAC name is (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid
PubChem CID160507917
Molecular FormulaC135H136Cl6F20O32
Molecular Weight2863.22 g/mol
Exact Mass2858.68
IUPAC Name(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid
SMILESCC(C)(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(CCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(F)(F)Oc1ccc(OCCOc2ccc3c(c2)C[C@](C(=O)O)(C(C)(C)C)O3)c(Cl)c1.O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1
InChIInChI=1S/C24H26ClF3O5.2C23H24ClF3O5.C23H25ClF2O6.C21H17ClF6O5.C21H20ClF3O6/c1-22(2,3)23(21(29)30)14-16-12-17(6-8-19(16)33-23)31-9-4-10-32-20-7-5-15(11-18(20)25)13-24(26,27)28;1-14(2)22(21(28)29)13-16-11-17(5-7-19(16)32-22)30-8-3-9-31-20-6-4-15(10-18(20)24)12-23(25,26)27;1-14(2)22(21(28)29)13-16-11-15(6-8-19(16)32-22)5-3-4-10-30-20-9-7-17(12-18(20)24)31-23(25,26)27;1-21(2,3)23(20(27)28)13-14-11-15(5-7-18(14)32-23)29-9-10-30-19-8-6-16(12-17(19)24)31-22(4,25)26;22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28;1-12(2)20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-8-29-18-6-4-15(10-16(18)22)30-21(23,24)25/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,29,30);4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,28,29);6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,28,29);5-8,11-12H,9-10,13H2,1-4H3,(H,27,28);2-5,8-9H,1,6-7,10-11H2,(H,29,30);3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/t23-;2*22-;23-;;20-/m0110.1/s1
InChIKeyQSQSVRTVCIEXGN-HAWFWCNBSA-N
XLogP34.18
TPSA408.40 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002863.22
LogP ≤ 534.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-[3-[2-chloro-4-(trifluoromethoxy)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid
CID 10005136
(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid
CID 11363175
(2S)-2-tert-butyl-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid
CID 10096476
2-benzyl-5-[3-[2-chloro-4-(trifluoromethoxy)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid
CID 11237761
[(2R)-2-tert-butyl-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-yl] hydrogen carbonate
CID 69302740
5-[3-[4-(2,2-dimethylpropyl)-2-propylphenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid
CID 10049635
7-[3-(2-chloro-4-ethoxyphenoxy)propoxy]-2-propyl-3,4-dihydrochromene-2-carboxylic acid
CID 21303593
(E)-3-[2-(4-phenylbutoxy)-5-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 58007659
methyl 2-oxo-2-[N-(3-phenylpropyl)-2-propoxy-5-[4-(trifluoromethoxy)phenyl]anilino]acetate
CID 58007671
(E)-3-[2-(5-phenylpentoxy)-5-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 58008126
3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl-(2-oxopropyl)amino]benzoic acid
CID 67175821
5-[2-(4-phenylbutylamino)-4-[4-(trifluoromethoxy)phenyl]phenoxy]pentyl acetate
CID 58007942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid?
The IUPAC name of (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid (CID 160507917) is (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid?
The canonical SMILES for (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid is CC(C)(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(CCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.CC(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1.CC(F)(F)Oc1ccc(OCCOc2ccc3c(c2)C[C@](C(=O)O)(C(C)(C)C)O3)c(Cl)c1.O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1.
What is the InChIKey of (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid?
The InChIKey is QSQSVRTVCIEXGN-HAWFWCNBSA-N. The full InChI is InChI=1S/C24H26ClF3O5.2C23H24ClF3O5.C23H25ClF2O6.C21H17ClF6O5.C21H20ClF3O6/c1-22(2,3)23(21(29)30)14-16-12-17(6-8-19(16)33-23)31-9-4-10-32-20-7-5-15(11-18(20)25)13-24(26,27)28;1-14(2)22(21(28)29)13-16-11-17(5-7-19(16)32-22)30-8-3-9-31-20-6-4-15(10-18(20)24)12-23(25,26)27;1-14(2)22(21(28)29)13-16-11-15(6-8-19(16)32-22)5-3-4-10-30-20-9-7-17(12-18(20)24)31-23(25,26)27;1-21(2,3)23(20(27)28)13-14-11-15(5-7-18(14)32-23)29-9-10-30-19-8-6-16(12-17(19)24)31-22(4,25)26;22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28;1-12(2)20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-8-29-18-6-4-15(10-16(18)22)30-21(23,24)25/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,29,30);4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,28,29);6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,28,29);5-8,11-12H,9-10,13H2,1-4H3,(H,27,28);2-5,8-9H,1,6-7,10-11H2,(H,29,30);3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/t23-;2*22-;23-;;20-/m0110.1/s1.
What are the key properties of (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid?
(2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid has a molecular weight of 2863.22 g/mol, XLogP of 34.18, 50 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-5-[2-[2-chloro-4-(1,1-difluoroethoxy)phenoxy]ethoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-2-tert-butyl-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-(trifluoromethyl)-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[4-[2-chloro-4-(trifluoromethoxy)phenoxy]butyl]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid;(2R)-5-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethoxy]-2-propan-2-yl-3H-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 160507917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).