2-methoxy-6-(5-phenylpentyl)benzoic acid

C19H22O3 — CID 46735473

IUPAC2-methoxy-6-(5-phenylpentyl)benzoic acid
SMILESCOc1cccc(CCCCCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H22O3/c1-22-17-14-8-13-16(18(17)19(20)21)12-7-3-6-11-15-9-4-2-5-10-15/h2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21)
InChIKeyGJIBSWPRLZEEMK-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.35
Rot. Bonds8

About 2-methoxy-6-(5-phenylpentyl)benzoic acid

2-methoxy-6-(5-phenylpentyl)benzoic acid (PubChem CID 46735473) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methoxy-6-(5-phenylpentyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-(5-phenylpentyl)benzoic acid
PubChem CID46735473
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-methoxy-6-(5-phenylpentyl)benzoic acid
SMILESCOc1cccc(CCCCCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H22O3/c1-22-17-14-8-13-16(18(17)19(20)21)12-7-3-6-11-15-9-4-2-5-10-15/h2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21)
InChIKeyGJIBSWPRLZEEMK-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decyl-6-methoxybenzoic acid
CID 20757679
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
CID 66688109
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
CID 70016693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(5-phenylpentyl)benzoic acid?
The IUPAC name of 2-methoxy-6-(5-phenylpentyl)benzoic acid (CID 46735473) is 2-methoxy-6-(5-phenylpentyl)benzoic acid.
What is the SMILES notation for 2-methoxy-6-(5-phenylpentyl)benzoic acid?
The canonical SMILES for 2-methoxy-6-(5-phenylpentyl)benzoic acid is COc1cccc(CCCCCc2ccccc2)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-(5-phenylpentyl)benzoic acid?
The InChIKey is GJIBSWPRLZEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-22-17-14-8-13-16(18(17)19(20)21)12-7-3-6-11-15-9-4-2-5-10-15/h2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-6-(5-phenylpentyl)benzoic acid?
2-methoxy-6-(5-phenylpentyl)benzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(5-phenylpentyl)benzoic acid is sourced from PubChem (CID 46735473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).