5-(4-methoxyphenyl)-2-phenylpentanoic acid

C18H20O3 — CID 81008725

IUPAC5-(4-methoxyphenyl)-2-phenylpentanoic acid
SMILESCOc1ccc(CCCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(18(19)20)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,19,20)
InChIKeyQPTWKRUXTUSEGQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.89
Rot. Bonds7

About 5-(4-methoxyphenyl)-2-phenylpentanoic acid

5-(4-methoxyphenyl)-2-phenylpentanoic acid (PubChem CID 81008725) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-phenylpentanoic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-phenylpentanoic acid
PubChem CID81008725
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-(4-methoxyphenyl)-2-phenylpentanoic acid
SMILESCOc1ccc(CCCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(18(19)20)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,19,20)
InChIKeyQPTWKRUXTUSEGQ-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
4-(1-carboxy-4-phenylbutyl)benzoic acid
CID 82136611
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
7-methyl-2-phenyloctanoic acid
CID 83162771
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-phenylpentanoic acid?
The IUPAC name of 5-(4-methoxyphenyl)-2-phenylpentanoic acid (CID 81008725) is 5-(4-methoxyphenyl)-2-phenylpentanoic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-phenylpentanoic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-2-phenylpentanoic acid is COc1ccc(CCCC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-phenylpentanoic acid?
The InChIKey is QPTWKRUXTUSEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(18(19)20)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,19,20).
What are the key properties of 5-(4-methoxyphenyl)-2-phenylpentanoic acid?
5-(4-methoxyphenyl)-2-phenylpentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-phenylpentanoic acid is sourced from PubChem (CID 81008725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).