2-(3-hydroxy-5-pentylphenyl)propanoic acid

C14H20O3 — CID 66645368

IUPAC2-(3-hydroxy-5-pentylphenyl)propanoic acid
SMILESCCCCCc1cc(O)cc(C(C)C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-3-4-5-6-11-7-12(9-13(15)8-11)10(2)14(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyYSXVRSLEWQAIBB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.31
Rot. Bonds6

About 2-(3-hydroxy-5-pentylphenyl)propanoic acid

2-(3-hydroxy-5-pentylphenyl)propanoic acid (PubChem CID 66645368) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-hydroxy-5-pentylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-5-pentylphenyl)propanoic acid
PubChem CID66645368
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-hydroxy-5-pentylphenyl)propanoic acid
SMILESCCCCCc1cc(O)cc(C(C)C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-3-4-5-6-11-7-12(9-13(15)8-11)10(2)14(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyYSXVRSLEWQAIBB-UHFFFAOYSA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxy-5-pentylphenyl)propanoic 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

CID 175718629
CID 175718629
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
3-ethyl-5-pentylphenol
CID 130224031
3,5-dibutylphenol
CID 15936149
2-(4-hydroxyphenyl)propanoic acid;pentan-1-amine
CID 175319650
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
disodium;(2S)-2-aminopentanedioate;5-pentylbenzene-1,3-diol
CID 175751518
3-butyl-5-propylphenol
CID 69337384
2-(3,5-dipentylphenyl)acetic acid
CID 78319081
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 117286015

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-pentylphenyl)propanoic acid?
The IUPAC name of 2-(3-hydroxy-5-pentylphenyl)propanoic acid (CID 66645368) is 2-(3-hydroxy-5-pentylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxy-5-pentylphenyl)propanoic acid?
The canonical SMILES for 2-(3-hydroxy-5-pentylphenyl)propanoic acid is CCCCCc1cc(O)cc(C(C)C(=O)O)c1.
What is the InChIKey of 2-(3-hydroxy-5-pentylphenyl)propanoic acid?
The InChIKey is YSXVRSLEWQAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-4-5-6-11-7-12(9-13(15)8-11)10(2)14(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-5-pentylphenyl)propanoic acid?
2-(3-hydroxy-5-pentylphenyl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-pentylphenyl)propanoic acid is sourced from PubChem (CID 66645368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).