(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid

C24H26O4 — CID 70066184

IUPAC(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
SMILESCOc1ccc([C@@](C)(C#Cc2ccccc2)CC(=O)O)cc1OC1CCCC1
InChIInChI=1S/C24H26O4/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H,25,26)/t24-/m0/s1
InChIKeyPFMNCHARFDHRIC-DEOSSOPVSA-N
MW378.47 g/mol
LogP4.80
Rot. Bonds6

About (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid

(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid (PubChem CID 70066184) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid.

Molecular Properties

Compound Name(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
PubChem CID70066184
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
SMILESCOc1ccc([C@@](C)(C#Cc2ccccc2)CC(=O)O)cc1OC1CCCC1
InChIInChI=1S/C24H26O4/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H,25,26)/t24-/m0/s1
InChIKeyPFMNCHARFDHRIC-DEOSSOPVSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic 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

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
CID 56987832
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-5-phenylpent-4-ynamide
CID 57235125
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene
CID 57298170
3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
CID 117472193
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117473397
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
tert-butyl N-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclobutyl]carbamate
CID 20638963
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
CID 19349937

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid?
The IUPAC name of (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid (CID 70066184) is (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid.
What is the SMILES notation for (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid?
The canonical SMILES for (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid is COc1ccc([C@@](C)(C#Cc2ccccc2)CC(=O)O)cc1OC1CCCC1.
What is the InChIKey of (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid?
The InChIKey is PFMNCHARFDHRIC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26O4/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H,25,26)/t24-/m0/s1.
What are the key properties of (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid?
(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid has a molecular weight of 378.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid is sourced from PubChem (CID 70066184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).