3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid

C13H14O2 — CID 79984292

IUPAC3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1cccc(C2CC2)c1)C(=O)O
InChIInChI=1S/C13H14O2/c1-9(13(14)15)7-10-3-2-4-12(8-10)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
InChIKeyMVYBACSJRSMFDP-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.05
Rot. Bonds3

About 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid

3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid (PubChem CID 79984292) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
PubChem CID79984292
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1cccc(C2CC2)c1)C(=O)O
InChIInChI=1S/C13H14O2/c1-9(13(14)15)7-10-3-2-4-12(8-10)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
InChIKeyMVYBACSJRSMFDP-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.05
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-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963
2-[(3-cyclopropylphenyl)methylidene]butanal
CID 79977528
2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
CID 68509720
(E)-3-(3-aminophenyl)-2-methylprop-2-enoic acid
CID 15103268
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
3-[4-(4-tert-butylcyclohexyl)phenyl]-2-methylprop-2-enoic acid
CID 66903085
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutanal
CID 79977672
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
CID 79977385
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
N-[(3-cyclopropylphenyl)methylidene]hydroxylamine
CID 79977457

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid (CID 79984292) is 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid is CC(=Cc1cccc(C2CC2)c1)C(=O)O.
What is the InChIKey of 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is MVYBACSJRSMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9(13(14)15)7-10-3-2-4-12(8-10)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid?
3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 79984292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).