3-(2-cyclopropylphenyl)-3-hydroxypropanal

C12H14O2 — CID 114795310

IUPAC3-(2-cyclopropylphenyl)-3-hydroxypropanal
SMILESO=CCC(O)c1ccccc1C1CC1
InChIInChI=1S/C12H14O2/c13-8-7-12(14)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12,14H,5-7H2
InChIKeyFYKBYCXKEJMRKU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.19
Rot. Bonds4

About 3-(2-cyclopropylphenyl)-3-hydroxypropanal

3-(2-cyclopropylphenyl)-3-hydroxypropanal (PubChem CID 114795310) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2-cyclopropylphenyl)-3-hydroxypropanal.

Molecular Properties

Compound Name3-(2-cyclopropylphenyl)-3-hydroxypropanal
PubChem CID114795310
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(2-cyclopropylphenyl)-3-hydroxypropanal
SMILESO=CCC(O)c1ccccc1C1CC1
InChIInChI=1S/C12H14O2/c13-8-7-12(14)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12,14H,5-7H2
InChIKeyFYKBYCXKEJMRKU-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
3-amino-1-(2-cyclopropylphenyl)propan-1-ol
CID 79982961
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
CID 173057877
1-(2-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
CID 79982949
1-(2-cyclopropylphenyl)-2-(2-fluorophenyl)ethanol
CID 79982321
1-(2-cyclopropylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 79970895
1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 79983379
3-[2-(1-methylazepan-4-yl)phenyl]butanal
CID 117402999
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylphenyl)-3-hydroxypropanal?
The IUPAC name of 3-(2-cyclopropylphenyl)-3-hydroxypropanal (CID 114795310) is 3-(2-cyclopropylphenyl)-3-hydroxypropanal.
What is the SMILES notation for 3-(2-cyclopropylphenyl)-3-hydroxypropanal?
The canonical SMILES for 3-(2-cyclopropylphenyl)-3-hydroxypropanal is O=CCC(O)c1ccccc1C1CC1.
What is the InChIKey of 3-(2-cyclopropylphenyl)-3-hydroxypropanal?
The InChIKey is FYKBYCXKEJMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-7-12(14)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12,14H,5-7H2.
What are the key properties of 3-(2-cyclopropylphenyl)-3-hydroxypropanal?
3-(2-cyclopropylphenyl)-3-hydroxypropanal has a molecular weight of 190.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylphenyl)-3-hydroxypropanal is sourced from PubChem (CID 114795310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).