2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid

C12H14O3 — CID 117049200

IUPAC2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-3-8-12(2,11(14)15)9-4-6-10(13)7-5-9/h3-7,13H,1,8H2,2H3,(H,14,15)
InChIKeyWWKNNTYKOPOPCB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid

2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid (PubChem CID 117049200) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
PubChem CID117049200
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-3-8-12(2,11(14)15)9-4-6-10(13)7-5-9/h3-7,13H,1,8H2,2H3,(H,14,15)
InChIKeyWWKNNTYKOPOPCB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
2-methyl-2-(3-methylphenyl)pent-4-enoic acid
CID 117049190
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
CID 117049182
4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 117049848
fluoro 2-methyl-2-phenylpent-4-enoate
CID 143008077
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
CID 139878478
(2S)-2-(3,4-dichlorophenyl)-2-methylpent-4-enamide
CID 67695534
bis(prop-2-enoic acid);4-[1,1,1,3-tetrafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159729968
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid (CID 117049200) is 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid is C=CCC(C)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid?
The InChIKey is WWKNNTYKOPOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-8-12(2,11(14)15)9-4-6-10(13)7-5-9/h3-7,13H,1,8H2,2H3,(H,14,15).
What are the key properties of 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid?
2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid is sourced from PubChem (CID 117049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).