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

C12H14O3 — CID 13026557

IUPAC2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
SMILESC=CC(C)C(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-9(2)12(15,11(13)14)10-7-5-4-6-8-10/h3-9,15H,1H2,2H3,(H,13,14)
InChIKeyZUYRXYKAXAVWDB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.78
Rot. Bonds4

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

2-hydroxy-3-methyl-2-phenylpent-4-enoic acid (PubChem CID 13026557) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
PubChem CID13026557
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
SMILESC=CC(C)C(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-9(2)12(15,11(13)14)10-7-5-4-6-8-10/h3-9,15H,1H2,2H3,(H,13,14)
InChIKeyZUYRXYKAXAVWDB-UHFFFAOYSA-N
XLogP1.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-phenylhex-5-en-3-amine
CID 10679669
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
CID 11514371
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
CID 118555479
(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
CID 101191309
3-hydroxy-3-phenyl-2-propan-2-ylpent-4-enoic acid
CID 66039315
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
phenyl (2S,3R)-2-acetyl-2-hydroxy-3-methylpent-4-enoate
CID 71606329
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid?
The IUPAC name of 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid (CID 13026557) is 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid is C=CC(C)C(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid?
The InChIKey is ZUYRXYKAXAVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-9(2)12(15,11(13)14)10-7-5-4-6-8-10/h3-9,15H,1H2,2H3,(H,13,14).
What are the key properties of 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid?
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-2-phenylpent-4-enoic acid is sourced from PubChem (CID 13026557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).