4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol

C144H126F6O26 — CID 158531434

IUPAC4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1ccccc1O.O=C(COc1ccc(OC(F)(F)F)cc1)c1ccccc1O.O=C(O)c1ccc(OCC(O)c2ccccc2O)cc1.O=C(O)c1ccc(OCC2(c3ccccc3O)CC2)cc1.Oc1ccccc1C(O)COc1ccc(-c2ccccc2)cc1.Oc1ccccc1C1(COc2ccc(-c3ccccc3)cc2)CC1.Oc1ccccc1CCOc1ccc(-c2ccccc2)cc1.Oc1ccccc1CCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20O2.C20H18O3.C20H16O3.C20H18O2.C17H16O4.C15H11F3O4.C15H13F3O3.C15H14O5/c23-21-9-5-4-8-20(21)22(14-15-22)16-24-19-12-10-18(11-13-19)17-6-2-1-3-7-17;2*21-19-9-5-4-8-18(19)20(22)14-23-17-12-10-16(11-13-17)15-6-2-1-3-7-15;21-20-9-5-4-8-18(20)14-15-22-19-12-10-17(11-13-19)16-6-2-1-3-7-16;18-15-4-2-1-3-14(15)17(9-10-17)11-21-13-7-5-12(6-8-13)16(19)20;16-15(17,18)22-11-7-5-10(6-8-11)21-9-14(20)12-3-1-2-4-13(12)19;16-15(17,18)21-13-7-5-12(6-8-13)20-10-9-11-3-1-2-4-14(11)19;16-13-4-2-1-3-12(13)14(17)9-20-11-7-5-10(6-8-11)15(18)19/h1-13,23H,14-16H2;1-13,20-22H,14H2;1-13,21H,14H2;1-13,21H,14-15H2;1-8,18H,9-11H2,(H,19,20);1-8,19H,9H2;1-8,19H,9-10H2;1-8,14,16-17H,9H2,(H,18,19)
InChIKeyHNKPTCRVCJERIU-UHFFFAOYSA-N
MW2386.55 g/mol
LogP31.21
Rot. Bonds40

About 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol

4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol (PubChem CID 158531434) has the molecular formula C144H126F6O26 and a molecular weight of 2386.55 g/mol. Its IUPAC name is 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol
PubChem CID158531434
Molecular FormulaC144H126F6O26
Molecular Weight2386.55 g/mol
Exact Mass2384.84
IUPAC Name4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1ccccc1O.O=C(COc1ccc(OC(F)(F)F)cc1)c1ccccc1O.O=C(O)c1ccc(OCC(O)c2ccccc2O)cc1.O=C(O)c1ccc(OCC2(c3ccccc3O)CC2)cc1.Oc1ccccc1C(O)COc1ccc(-c2ccccc2)cc1.Oc1ccccc1C1(COc2ccc(-c3ccccc3)cc2)CC1.Oc1ccccc1CCOc1ccc(-c2ccccc2)cc1.Oc1ccccc1CCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20O2.C20H18O3.C20H16O3.C20H18O2.C17H16O4.C15H11F3O4.C15H13F3O3.C15H14O5/c23-21-9-5-4-8-20(21)22(14-15-22)16-24-19-12-10-18(11-13-19)17-6-2-1-3-7-17;2*21-19-9-5-4-8-18(19)20(22)14-23-17-12-10-16(11-13-17)15-6-2-1-3-7-15;21-20-9-5-4-8-18(20)14-15-22-19-12-10-17(11-13-19)16-6-2-1-3-7-16;18-15-4-2-1-3-14(15)17(9-10-17)11-21-13-7-5-12(6-8-13)16(19)20;16-15(17,18)22-11-7-5-10(6-8-11)21-9-14(20)12-3-1-2-4-13(12)19;16-15(17,18)21-13-7-5-12(6-8-13)20-10-9-11-3-1-2-4-14(11)19;16-13-4-2-1-3-12(13)14(17)9-20-11-7-5-10(6-8-11)15(18)19/h1-13,23H,14-16H2;1-13,20-22H,14H2;1-13,21H,14H2;1-13,21H,14-15H2;1-8,18H,9-11H2,(H,19,20);1-8,19H,9H2;1-8,19H,9-10H2;1-8,14,16-17H,9H2,(H,18,19)
InChIKeyHNKPTCRVCJERIU-UHFFFAOYSA-N
XLogP31.21
TPSA403.34 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.55
LogP ≤ 531.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol with MolForge

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Related Compounds

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CID 168276292
2-[4-[2-[3-[[4,6-Bis(carboxymethoxy)-3-[2-[4-(carboxymethoxy)phenyl]acetyl]-2-hydroxyphenyl]methyl]-4,6-bis(carboxymethoxy)-2-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid
CID 24850846
[4-[2,3-Difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-3-[(3,4,5-trifluorophenyl)methoxycarbonyl]phenyl] 2,3-difluoro-4-(1-hydroxy-4-prop-2-enoyloxybutyl)benzoate
CID 58309130
Benzyl 5-[4-[1-hydroxy-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butyl]benzoyl]oxy-2-[4-(trifluoromethoxy)benzoyl]oxybenzoate
CID 58309195
[4-[4-[1-Hydroxy-3-[(2-methyloxiran-2-yl)methoxy]propyl]benzoyl]oxy-2-phenylmethoxycarbonylphenyl] 3-fluoro-4-(trifluoromethoxy)benzoate
CID 58309224
5-[4,6-Bis(2-acetyl-3-hydroxyphenoxy)-3-(2-carboxy-4-oxochromen-5-yl)oxy-2,5-difluorohexoxy]-4-oxochromene-2-carboxylic acid
CID 66605356
Benzyl 2-(4-hydroxybenzoyl)oxy-5-[4-[4-(trifluoromethoxy)phenyl]benzoyl]oxybenzoate
CID 89512881
2-[4-[(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(2R)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]-3-phenylpropoxy]benzoyl]oxypropan-2-yl]phenoxy]-3-phenylpropoxy]phenyl]acetic acid
CID 90823486
[4-[2-Methyl-4-(4-prop-2-enoyloxybutoxy)-3-(trifluoromethyl)benzoyl]oxy-3-phenylmethoxycarbonylphenyl] 4-(1-hydroxy-4-prop-2-enoyloxybutyl)-3-methyl-2-(trifluoromethyl)benzoate;[3-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]-4-[2,3,6-trimethyl-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(1-hydroxy-3-prop-2-enoyloxypropyl)-2,3,6-trimethylbenzoate
CID 123687992
Methyl 3-[2-[2-[3-[5-[2-(3,4-difluorophenoxy)acetyl]-4-[[2,4-dihydroxy-5-[2-(4-methoxycarbonylphenoxy)acetyl]phenyl]methoxy]-2-hydroxyphenyl]propoxy]-5-[[2-[2-(3,5-difluorophenoxy)acetyl]-5-hydroxy-4-propylphenoxy]methyl]-4-hydroxyphenyl]-2-oxoethoxy]benzoate
CID 123749705
1-[2-[[5-[2-(3,4-Difluorophenoxy)acetyl]-4-[[5-[2-(2,4-difluorophenoxy)acetyl]-2,4-dihydroxyphenyl]methoxy]-2-hydroxyphenyl]methoxy]-4-hydroxy-5-methylphenyl]-2-(4-propan-2-ylphenoxy)ethanone
CID 123936828
2-(4-Tert-butylphenoxy)-1-[2-[[5-[2-(2,4-difluorophenoxy)acetyl]-2,4-dihydroxyphenyl]methoxy]-4-hydroxy-5-propylphenyl]ethanone
CID 123949020

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol?
The IUPAC name of 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol (CID 158531434) is 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol.
What is the SMILES notation for 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol?
The canonical SMILES for 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol is O=C(COc1ccc(-c2ccccc2)cc1)c1ccccc1O.O=C(COc1ccc(OC(F)(F)F)cc1)c1ccccc1O.O=C(O)c1ccc(OCC(O)c2ccccc2O)cc1.O=C(O)c1ccc(OCC2(c3ccccc3O)CC2)cc1.Oc1ccccc1C(O)COc1ccc(-c2ccccc2)cc1.Oc1ccccc1C1(COc2ccc(-c3ccccc3)cc2)CC1.Oc1ccccc1CCOc1ccc(-c2ccccc2)cc1.Oc1ccccc1CCOc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol?
The InChIKey is HNKPTCRVCJERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2.C20H18O3.C20H16O3.C20H18O2.C17H16O4.C15H11F3O4.C15H13F3O3.C15H14O5/c23-21-9-5-4-8-20(21)22(14-15-22)16-24-19-12-10-18(11-13-19)17-6-2-1-3-7-17;2*21-19-9-5-4-8-18(19)20(22)14-23-17-12-10-16(11-13-17)15-6-2-1-3-7-15;21-20-9-5-4-8-18(20)14-15-22-19-12-10-17(11-13-19)16-6-2-1-3-7-16;18-15-4-2-1-3-14(15)17(9-10-17)11-21-13-7-5-12(6-8-13)16(19)20;16-15(17,18)22-11-7-5-10(6-8-11)21-9-14(20)12-3-1-2-4-13(12)19;16-15(17,18)21-13-7-5-12(6-8-13)20-10-9-11-3-1-2-4-14(11)19;16-13-4-2-1-3-12(13)14(17)9-20-11-7-5-10(6-8-11)15(18)19/h1-13,23H,14-16H2;1-13,20-22H,14H2;1-13,21H,14H2;1-13,21H,14-15H2;1-8,18H,9-11H2,(H,19,20);1-8,19H,9H2;1-8,19H,9-10H2;1-8,14,16-17H,9H2,(H,18,19).
What are the key properties of 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol?
4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol has a molecular weight of 2386.55 g/mol, XLogP of 31.21, 40 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-(2-hydroxyphenyl)ethoxy]benzoic acid;4-[[1-(2-hydroxyphenyl)cyclopropyl]methoxy]benzoic acid;2-[1-hydroxy-2-(4-phenylphenoxy)ethyl]phenol;1-(2-hydroxyphenyl)-2-(4-phenylphenoxy)ethanone;1-(2-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;2-[2-(4-phenylphenoxy)ethyl]phenol;2-[1-[(4-phenylphenoxy)methyl]cyclopropyl]phenol;2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]phenol is sourced from PubChem (CID 158531434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).