4-(2-methyl-4-phenylpent-2-enyl)benzoic acid

C19H20O2 — CID 58658275

IUPAC4-(2-methyl-4-phenylpent-2-enyl)benzoic acid
SMILESCC(=CC(C)c1ccccc1)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20O2/c1-14(12-15(2)17-6-4-3-5-7-17)13-16-8-10-18(11-9-16)19(20)21/h3-12,15H,13H2,1-2H3,(H,20,21)
InChIKeyJNLSTCOVDMNECQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.68
Rot. Bonds5

About 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid

4-(2-methyl-4-phenylpent-2-enyl)benzoic acid (PubChem CID 58658275) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid.

Molecular Properties

Compound Name4-(2-methyl-4-phenylpent-2-enyl)benzoic acid
PubChem CID58658275
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-(2-methyl-4-phenylpent-2-enyl)benzoic acid
SMILESCC(=CC(C)c1ccccc1)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20O2/c1-14(12-15(2)17-6-4-3-5-7-17)13-16-8-10-18(11-9-16)19(20)21/h3-12,15H,13H2,1-2H3,(H,20,21)
InChIKeyJNLSTCOVDMNECQ-UHFFFAOYSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methyl-6-phenylhept-4-en-2-one
CID 10241959
(Z)-4-methyl-6-phenylhept-4-en-1-ol
CID 134964150
4-(1-phenylethylsulfinylmethyl)benzoic acid
CID 123106924
4-[4-(3-methyl-2-oxobutyl)phenyl]benzoic acid
CID 82541056
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
ethyl (E)-2-methyl-4-phenylpent-2-enoate;(E)-2-methyl-4-phenylpent-2-en-1-ol
CID 158052477
tris(propane-1,2-diol);terephthalic acid
CID 70477156
3-methyl-4-phenylbut-2-enoic acid
CID 22414
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
propane-1,2-diol;prop-2-enoic acid;terephthalic acid
CID 157389848
4-(4-methyl-3-oxopentyl)benzoic acid
CID 157191269

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid?
The IUPAC name of 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid (CID 58658275) is 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid.
What is the SMILES notation for 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid?
The canonical SMILES for 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid is CC(=CC(C)c1ccccc1)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid?
The InChIKey is JNLSTCOVDMNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(12-15(2)17-6-4-3-5-7-17)13-16-8-10-18(11-9-16)19(20)21/h3-12,15H,13H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid?
4-(2-methyl-4-phenylpent-2-enyl)benzoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylpent-2-enyl)benzoic acid is sourced from PubChem (CID 58658275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).