4-methyl-2-phenylpent-3-enoic acid

C12H14O2 — CID 10559580

IUPAC4-methyl-2-phenylpent-3-enoic acid
SMILESCC(C)=CC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,13,14)
InChIKeyVQFIERRAADHZHD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.82
Rot. Bonds3

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

4-methyl-2-phenylpent-3-enoic acid (PubChem CID 10559580) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-methyl-2-phenylpent-3-enoic acid.

Molecular Properties

Compound Name4-methyl-2-phenylpent-3-enoic acid
PubChem CID10559580
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-methyl-2-phenylpent-3-enoic acid
SMILESCC(C)=CC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,13,14)
InChIKeyVQFIERRAADHZHD-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.82
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

5-methyl-3-phenylhex-4-en-2-one
CID 10559533
4-(chloromethyl)-2-phenylhex-3-enoic acid
CID 78103592
4-methyl-2-phenylpent-3-enal
CID 19361032
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2,5-dimethyl-4-phenylhexa-2,5-dienoic acid
CID 67162533
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid
CID 54136290
5-methyl-3-phenylhex-4-en-1-ol
CID 10932246
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylpent-3-enoic acid?
The IUPAC name of 4-methyl-2-phenylpent-3-enoic acid (CID 10559580) is 4-methyl-2-phenylpent-3-enoic acid.
What is the SMILES notation for 4-methyl-2-phenylpent-3-enoic acid?
The canonical SMILES for 4-methyl-2-phenylpent-3-enoic acid is CC(C)=CC(C(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenylpent-3-enoic acid?
The InChIKey is VQFIERRAADHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-phenylpent-3-enoic acid?
4-methyl-2-phenylpent-3-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylpent-3-enoic acid is sourced from PubChem (CID 10559580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).