2-methylidene-3-phenylpent-4-enoic acid

C12H12O2 — CID 10352456

IUPAC2-methylidene-3-phenylpent-4-enoic acid
SMILESC=CC(C(=C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H12O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-8,11H,1-2H2,(H,13,14)
InChIKeyDVAMUTYTFHTGIR-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.60
Rot. Bonds4

About 2-methylidene-3-phenylpent-4-enoic acid

2-methylidene-3-phenylpent-4-enoic acid (PubChem CID 10352456) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methylidene-3-phenylpent-4-enoic acid.

Molecular Properties

Compound Name2-methylidene-3-phenylpent-4-enoic acid
PubChem CID10352456
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-methylidene-3-phenylpent-4-enoic acid
SMILESC=CC(C(=C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H12O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-8,11H,1-2H2,(H,13,14)
InChIKeyDVAMUTYTFHTGIR-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-phenylbut-3-enoate
CID 177056138
2-[iodo(phenyl)methyl]prop-2-enoic acid
CID 20574614
2-methylidene-3-phenylbutanedioic acid
CID 22013183
2,5-dimethyl-4-phenylhexa-2,5-dienoic acid
CID 67162533
4-phenyl-1-trimethylsilylhex-5-en-3-one
CID 101401764
3-hydroxy-2-methylidene-4-phenylpentanoic acid
CID 15082521
1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
CID 173400306
1,1-diphenylbut-3-en-2-ol
CID 88826241
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(3S)-3-phenylpent-4-enoic acid
CID 92981953
3-oxo-2,4-diphenylpentanedithial
CID 174886605
(3Z)-4-(1-phenylprop-2-enyl)nona-1,3-dien-5-one
CID 102526204

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-phenylpent-4-enoic acid?
The IUPAC name of 2-methylidene-3-phenylpent-4-enoic acid (CID 10352456) is 2-methylidene-3-phenylpent-4-enoic acid.
What is the SMILES notation for 2-methylidene-3-phenylpent-4-enoic acid?
The canonical SMILES for 2-methylidene-3-phenylpent-4-enoic acid is C=CC(C(=C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methylidene-3-phenylpent-4-enoic acid?
The InChIKey is DVAMUTYTFHTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-8,11H,1-2H2,(H,13,14).
What are the key properties of 2-methylidene-3-phenylpent-4-enoic acid?
2-methylidene-3-phenylpent-4-enoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-phenylpent-4-enoic acid is sourced from PubChem (CID 10352456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).