2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid

C28H27NO2 — CID 15342294

IUPAC2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1ccc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c30-28(31)24-12-5-4-10-22(24)20-16-14-19(15-17-20)18-25-23-11-6-7-13-26(23)29-27(25)21-8-2-1-3-9-21/h1-3,6-9,11,13-17,22,24,29H,4-5,10,12,18H2,(H,30,31)
InChIKeyRXOVASYSYIXABC-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.78
Rot. Bonds5

About 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid

2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid (PubChem CID 15342294) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid
PubChem CID15342294
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1ccc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c30-28(31)24-12-5-4-10-22(24)20-16-14-19(15-17-20)18-25-23-11-6-7-13-26(23)29-27(25)21-8-2-1-3-9-21/h1-3,6-9,11,13-17,22,24,29H,4-5,10,12,18H2,(H,30,31)
InChIKeyRXOVASYSYIXABC-UHFFFAOYSA-N
XLogP6.78
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
trans-(1R,2R)-2-[4-(acetyloxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 59111315
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
cis-(1S,2R)-2-phenylcyclooctane-1-carboxylic acid;(1Z)-2-phenylcyclooctene-1-carboxylic acid
CID 158372256
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
trans-(1R,2R)-2-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]cyclohexane-1-carboxylic acid
CID 59111319
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
cis-(1S,2R)-2-[4-[2-(hydroxyamino)-2-oxoethyl]-3-phenyl-1H-pyrazol-5-yl]cyclohexane-1-carboxylic acid
CID 163282616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid (CID 15342294) is 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1ccc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is RXOVASYSYIXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c30-28(31)24-12-5-4-10-22(24)20-16-14-19(15-17-20)18-25-23-11-6-7-13-26(23)29-27(25)21-8-2-1-3-9-21/h1-3,6-9,11,13-17,22,24,29H,4-5,10,12,18H2,(H,30,31).
What are the key properties of 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid?
2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 409.53 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 15342294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).