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

C12H14O3 — CID 70014663

IUPAC5-hydroxy-2-methyl-3-phenylpent-2-enoic acid
SMILESCC(C(=O)O)=C(CCO)c1ccccc1
InChIInChI=1S/C12H14O3/c1-9(12(14)15)11(7-8-13)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15)
InChIKeyZDALJDAFGOCWGD-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds4

About 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid

5-hydroxy-2-methyl-3-phenylpent-2-enoic acid (PubChem CID 70014663) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methyl-3-phenylpent-2-enoic acid
PubChem CID70014663
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-hydroxy-2-methyl-3-phenylpent-2-enoic acid
SMILESCC(C(=O)O)=C(CCO)c1ccccc1
InChIInChI=1S/C12H14O3/c1-9(12(14)15)11(7-8-13)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15)
InChIKeyZDALJDAFGOCWGD-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7-trimethyl-3,6-diphenylocta-2,6-dienedioic acid
CID 173101317
ethane;3-hydroxy-1-phenylpropan-1-one
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acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
5-(dimethylamino)-2-methyl-3-phenylpent-2-enamide
CID 139767092
(2E)-5-methyl-2-(2-methylprop-2-enyl)-3-phenylhexa-2,5-dienoic acid
CID 70579930
(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
2-acetyl-3-phenylpent-2-enoic acid
CID 150438559
benzene;2-hydroxy-1-phenylethanone
CID 174663024
2,3-diphenylbut-2-en-1-ol
CID 91085638
benzoic acid;bis(propan-1-ol)
CID 175024841

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid?
The IUPAC name of 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid (CID 70014663) is 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid?
The canonical SMILES for 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid is CC(C(=O)O)=C(CCO)c1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid?
The InChIKey is ZDALJDAFGOCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(12(14)15)11(7-8-13)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15).
What are the key properties of 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid?
5-hydroxy-2-methyl-3-phenylpent-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-3-phenylpent-2-enoic acid is sourced from PubChem (CID 70014663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).