3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid

C12H12O2 — CID 154271010

IUPAC3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
SMILESC=C(C)c1cccc(C=CC(=O)O)c1
InChIInChI=1S/C12H12O2/c1-9(2)11-5-3-4-10(8-11)6-7-12(13)14/h3-8H,1H2,2H3,(H,13,14)
InChIKeyQYXOXHMZWOAOOV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.82
Rot. Bonds3

About 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid

3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid (PubChem CID 154271010) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
PubChem CID154271010
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
SMILESC=C(C)c1cccc(C=CC(=O)O)c1
InChIInChI=1S/C12H12O2/c1-9(2)11-5-3-4-10(8-11)6-7-12(13)14/h3-8H,1H2,2H3,(H,13,14)
InChIKeyQYXOXHMZWOAOOV-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.82
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-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
3-[3-(2-bromoacetyl)phenyl]prop-2-enoic acid
CID 173389351
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
(E)-3-(3-propan-2-yloxycarbonylphenyl)prop-2-enoic acid
CID 83970249
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328
(E)-3-[3-[methyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 94231066
1-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-3-prop-1-en-2-ylbenzene
CID 153358838
(E)-3-(3-carbamimidoylphenyl)prop-2-enoic acid
CID 119091443
3-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971727
acetic acid;3-prop-1-en-2-ylphenol
CID 71365863
(E)-3-[3-[2-(4-methylphenyl)acetyl]phenyl]prop-2-enoic acid
CID 59268407
(E)-3-[3-(2-methylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231050

Frequently Asked Questions

What is the IUPAC name of 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid (CID 154271010) is 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid is C=C(C)c1cccc(C=CC(=O)O)c1.
What is the InChIKey of 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid?
The InChIKey is QYXOXHMZWOAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9(2)11-5-3-4-10(8-11)6-7-12(13)14/h3-8H,1H2,2H3,(H,13,14).
What are the key properties of 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid?
3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 154271010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).