2-methylidene-3-phenylpentadec-3-enoic acid

C22H32O2 — CID 173433736

IUPAC2-methylidene-3-phenylpentadec-3-enoic acid
SMILESC=C(C(=O)O)C(=CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-15-18-21(19(2)22(23)24)20-16-13-12-14-17-20/h12-14,16-18H,2-11,15H2,1H3,(H,23,24)
InChIKeyRVJPGLRPULKPJG-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.63
Rot. Bonds13

About 2-methylidene-3-phenylpentadec-3-enoic acid

2-methylidene-3-phenylpentadec-3-enoic acid (PubChem CID 173433736) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-methylidene-3-phenylpentadec-3-enoic acid.

Molecular Properties

Compound Name2-methylidene-3-phenylpentadec-3-enoic acid
PubChem CID173433736
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2-methylidene-3-phenylpentadec-3-enoic acid
SMILESC=C(C(=O)O)C(=CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-15-18-21(19(2)22(23)24)20-16-13-12-14-17-20/h12-14,16-18H,2-11,15H2,1H3,(H,23,24)
InChIKeyRVJPGLRPULKPJG-UHFFFAOYSA-N
XLogP6.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methylidene-3-phenylpentadec-3-enoic 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

methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
2-phenylhexacos-2-enedioic acid
CID 150773917
(Z)-octadec-9-enoic acid;2-phenylprop-2-enoic acid
CID 164897777
2-phenoxydodec-2-enoic acid
CID 67926772
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
2-phenylundec-2-ene-1-thiol
CID 175069404
decanal;1-phenylethanone
CID 161488656
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
[(3E)-3-hexylideneundecyl] benzoate
CID 134363962

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-phenylpentadec-3-enoic acid?
The IUPAC name of 2-methylidene-3-phenylpentadec-3-enoic acid (CID 173433736) is 2-methylidene-3-phenylpentadec-3-enoic acid.
What is the SMILES notation for 2-methylidene-3-phenylpentadec-3-enoic acid?
The canonical SMILES for 2-methylidene-3-phenylpentadec-3-enoic acid is C=C(C(=O)O)C(=CCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of 2-methylidene-3-phenylpentadec-3-enoic acid?
The InChIKey is RVJPGLRPULKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-15-18-21(19(2)22(23)24)20-16-13-12-14-17-20/h12-14,16-18H,2-11,15H2,1H3,(H,23,24).
What are the key properties of 2-methylidene-3-phenylpentadec-3-enoic acid?
2-methylidene-3-phenylpentadec-3-enoic acid has a molecular weight of 328.50 g/mol, XLogP of 6.63, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-phenylpentadec-3-enoic acid is sourced from PubChem (CID 173433736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).