(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid

C12H12O3 — CID 139788872

IUPAC(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESC=Cc1cccc(/C=C(\C)C(=O)O)c1O
InChIInChI=1S/C12H12O3/c1-3-9-5-4-6-10(11(9)13)7-8(2)12(14)15/h3-7,13H,1H2,2H3,(H,14,15)/b8-7+
InChIKeyQYSGRIUJWHHTTR-BQYQJAHWSA-N
MW204.22 g/mol
LogP2.52
Rot. Bonds3

About (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid

(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 139788872) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid
PubChem CID139788872
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESC=Cc1cccc(/C=C(\C)C(=O)O)c1O
InChIInChI=1S/C12H12O3/c1-3-9-5-4-6-10(11(9)13)7-8(2)12(14)15/h3-7,13H,1H2,2H3,(H,14,15)/b8-7+
InChIKeyQYSGRIUJWHHTTR-BQYQJAHWSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.52
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

3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
CID 67283763
3-(2-carboxyprop-1-enyl)phthalic acid
CID 66924424
3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 88526652
CID 159564409
CID 159564409
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
(E)-3-(3-chloro-2-fluorophenyl)-2-methylprop-2-enoic acid
CID 122235620
(E)-3-(2-tert-butylsulfanylphenyl)-2-methylprop-2-enoic acid
CID 170872977
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
(E)-3-[5-[(E)-2-carboxyprop-1-enyl]naphthalen-2-yl]-2-methylprop-2-enoic acid
CID 67681172
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
CID 18785337

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid (CID 139788872) is (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid is C=Cc1cccc(/C=C(\C)C(=O)O)c1O.
What is the InChIKey of (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is QYSGRIUJWHHTTR-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-9-5-4-6-10(11(9)13)7-8(2)12(14)15/h3-7,13H,1H2,2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid?
(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 204.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 139788872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).