(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid

C12H14O2 — CID 19101070

IUPAC(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
SMILESCCc1ccccc1/C=C(\C)C(=O)O
InChIInChI=1S/C12H14O2/c1-3-10-6-4-5-7-11(10)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+
InChIKeyNXOYGAFRWUSMGE-CMDGGOBGSA-N
MW190.24 g/mol
LogP2.74
Rot. Bonds3

About (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid

(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid (PubChem CID 19101070) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
PubChem CID19101070
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
SMILESCCc1ccccc1/C=C(\C)C(=O)O
InChIInChI=1S/C12H14O2/c1-3-10-6-4-5-7-11(10)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+
InChIKeyNXOYGAFRWUSMGE-CMDGGOBGSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
CID 67283763
1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977
3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
CID 79328915
(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
CID 71481560
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-2-methylprop-2-enoic acid
CID 56992584
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
(E)-2-methyl-3-(2-tetradecoxyphenyl)prop-2-enoic acid
CID 12636969
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid (CID 19101070) is (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid is CCc1ccccc1/C=C(\C)C(=O)O.
What is the InChIKey of (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is NXOYGAFRWUSMGE-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10-6-4-5-7-11(10)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+.
What are the key properties of (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid?
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 19101070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).