2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde

C12H14O2 — CID 87692062

IUPAC2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(O)(C=O)C2CC2)cc1
InChIInChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12(14,8-13)11-6-7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyWDACCCTUHZXQHE-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.79
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde

2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde (PubChem CID 87692062) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
PubChem CID87692062
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(O)(C=O)C2CC2)cc1
InChIInChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12(14,8-13)11-6-7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyWDACCCTUHZXQHE-UHFFFAOYSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.79
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

2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
CID 24974530
2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
CID 5151318
1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
CID 82114256
3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
CID 106509266
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol
CID 146331865
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 89476158
1,1-bis(4-methylphenyl)prop-2-en-1-ol
CID 117063352
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
CID 158449287
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The IUPAC name of 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde (CID 87692062) is 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde is Cc1ccc(C(O)(C=O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The InChIKey is WDACCCTUHZXQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12(14,8-13)11-6-7-11/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde has a molecular weight of 190.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde is sourced from PubChem (CID 87692062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).