3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid

C109H99F3N4O13 — CID 162032219

IUPAC3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2c(C(=O)O)n(Cc3cccc(OC4CCCC4)c3)c3ccccc23)cc1.COc1ccc(-c2c(C(=O)O)n(/C=C/c3ccccc3)c3ccccc23)cc1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H33NO3.C27H22F3NO3.C27H25NO4.C24H19NO3/c1-31(2,3)23-17-15-22(16-18-23)28-26-13-6-7-14-27(26)32(29(28)30(33)34)20-21-9-8-12-25(19-21)35-24-10-4-5-11-24;28-27(29,30)20-5-3-4-18(14-20)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-21(13-11-19)34-16-17-8-9-17;1-31-22-6-4-5-19(15-22)16-28-24-8-3-2-7-23(24)25(26(28)27(29)30)20-11-13-21(14-12-20)32-17-18-9-10-18;1-28-19-13-11-18(12-14-19)22-20-9-5-6-10-21(20)25(23(22)24(26)27)16-15-17-7-3-2-4-8-17/h6-9,12-19,24H,4-5,10-11,20H2,1-3H3,(H,33,34);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-8,11-15,18H,9-10,16-17H2,1H3,(H,29,30);2-16H,1H3,(H,26,27)/b;;;16-15+
InChIKeyYWEHPYBWZADLGI-HZKLMEQPSA-N
MW1730.00 g/mol
LogP26.03
Rot. Bonds26

About 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid

3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid (PubChem CID 162032219) has the molecular formula C109H99F3N4O13 and a molecular weight of 1730.00 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid
PubChem CID162032219
Molecular FormulaC109H99F3N4O13
Molecular Weight1730.00 g/mol
Exact Mass1728.72
IUPAC Name3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2c(C(=O)O)n(Cc3cccc(OC4CCCC4)c3)c3ccccc23)cc1.COc1ccc(-c2c(C(=O)O)n(/C=C/c3ccccc3)c3ccccc23)cc1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H33NO3.C27H22F3NO3.C27H25NO4.C24H19NO3/c1-31(2,3)23-17-15-22(16-18-23)28-26-13-6-7-14-27(26)32(29(28)30(33)34)20-21-9-8-12-25(19-21)35-24-10-4-5-11-24;28-27(29,30)20-5-3-4-18(14-20)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-21(13-11-19)34-16-17-8-9-17;1-31-22-6-4-5-19(15-22)16-28-24-8-3-2-7-23(24)25(26(28)27(29)30)20-11-13-21(14-12-20)32-17-18-9-10-18;1-28-19-13-11-18(12-14-19)22-20-9-5-6-10-21(20)25(23(22)24(26)27)16-15-17-7-3-2-4-8-17/h6-9,12-19,24H,4-5,10-11,20H2,1-3H3,(H,33,34);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-8,11-15,18H,9-10,16-17H2,1H3,(H,29,30);2-16H,1H3,(H,26,27)/b;;;16-15+
InChIKeyYWEHPYBWZADLGI-HZKLMEQPSA-N
XLogP26.03
TPSA215.07 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.00
LogP ≤ 526.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-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

1-[[4-[[3,5-Bis(trifluoromethyl)phenoxy]methyl]phenyl]methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 9894926
3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic Acid
CID 10115799
3-[4-(Cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
CID 10232422
3-[4-(Cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
CID 10232423
3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic Acid
CID 10298549
3-(4-Tert-butylphenyl)-1-[[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 24946918
3-(4-Tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 24946919
3-[3-(Cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 59066213
3-[4-(Cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 59066266
3-[3-(Cyclopropylmethoxy)phenyl]-1-[(2-fluoro-4-phenylphenyl)methyl]indole-2-carboxylic acid
CID 70011193
1-(4-Isopropoxyphenyl)-5-(4-trifluoromethylphenoxy)indole-2-carboxylic acid hemihydrate
CID 87748943
bis(5-[4-[1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]-1H-indole-2-carboxylic acid);ethane
CID 140102004

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid (CID 162032219) is 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid is CC(C)(C)c1ccc(-c2c(C(=O)O)n(Cc3cccc(OC4CCCC4)c3)c3ccccc23)cc1.COc1ccc(-c2c(C(=O)O)n(/C=C/c3ccccc3)c3ccccc23)cc1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid?
The InChIKey is YWEHPYBWZADLGI-HZKLMEQPSA-N. The full InChI is InChI=1S/C31H33NO3.C27H22F3NO3.C27H25NO4.C24H19NO3/c1-31(2,3)23-17-15-22(16-18-23)28-26-13-6-7-14-27(26)32(29(28)30(33)34)20-21-9-8-12-25(19-21)35-24-10-4-5-11-24;28-27(29,30)20-5-3-4-18(14-20)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-21(13-11-19)34-16-17-8-9-17;1-31-22-6-4-5-19(15-22)16-28-24-8-3-2-7-23(24)25(26(28)27(29)30)20-11-13-21(14-12-20)32-17-18-9-10-18;1-28-19-13-11-18(12-14-19)22-20-9-5-6-10-21(20)25(23(22)24(26)27)16-15-17-7-3-2-4-8-17/h6-9,12-19,24H,4-5,10-11,20H2,1-3H3,(H,33,34);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-8,11-15,18H,9-10,16-17H2,1H3,(H,29,30);2-16H,1H3,(H,26,27)/b;;;16-15+.
What are the key properties of 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid?
3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid has a molecular weight of 1730.00 g/mol, XLogP of 26.03, 26 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]indole-2-carboxylic acid is sourced from PubChem (CID 162032219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).