2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid

C19H20O3 — CID 175424931

IUPAC2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid
SMILESCOC(C)CC(=Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C19H20O3/c1-14(22-2)12-16(13-15-8-4-3-5-9-15)17-10-6-7-11-18(17)19(20)21/h3-11,13-14H,12H2,1-2H3,(H,20,21)
InChIKeyKGLGQHOHVIEXGV-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid

2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid (PubChem CID 175424931) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid
PubChem CID175424931
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid
SMILESCOC(C)CC(=Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C19H20O3/c1-14(22-2)12-16(13-15-8-4-3-5-9-15)17-10-6-7-11-18(17)19(20)21/h3-11,13-14H,12H2,1-2H3,(H,20,21)
InChIKeyKGLGQHOHVIEXGV-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159294004
2-[(2S)-hexan-2-yl]oxycarbonylbenzoic acid
CID 40535439
methanediol;phthalic acid
CID 70525231
phthalic acid;propanal
CID 160555514
2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid
CID 131962540
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
1-methoxypropane;phthalic acid
CID 174535712
2-(3-methoxybutyl)-1H-benzimidazole-4-carboxylic acid
CID 113382181
2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 58351071
2-(5-methyl-4-oxo-1-phenylhex-1-en-2-yl)benzonitrile
CID 57321447

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid?
The IUPAC name of 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid (CID 175424931) is 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid.
What is the SMILES notation for 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid?
The canonical SMILES for 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid is COC(C)CC(=Cc1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid?
The InChIKey is KGLGQHOHVIEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(22-2)12-16(13-15-8-4-3-5-9-15)17-10-6-7-11-18(17)19(20)21/h3-11,13-14H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid?
2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-phenylpent-1-en-2-yl)benzoic acid is sourced from PubChem (CID 175424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).