2-(4-butylphenyl)-2-cyclopropylacetaldehyde

C15H20O — CID 112507846

IUPAC2-(4-butylphenyl)-2-cyclopropylacetaldehyde
SMILESCCCCc1ccc(C(C=O)C2CC2)cc1
InChIInChI=1S/C15H20O/c1-2-3-4-12-5-7-13(8-6-12)15(11-16)14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyMRHMWDXRMPDCGT-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.72
Rot. Bonds6

About 2-(4-butylphenyl)-2-cyclopropylacetaldehyde

2-(4-butylphenyl)-2-cyclopropylacetaldehyde (PubChem CID 112507846) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(4-butylphenyl)-2-cyclopropylacetaldehyde.

Molecular Properties

Compound Name2-(4-butylphenyl)-2-cyclopropylacetaldehyde
PubChem CID112507846
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(4-butylphenyl)-2-cyclopropylacetaldehyde
SMILESCCCCc1ccc(C(C=O)C2CC2)cc1
InChIInChI=1S/C15H20O/c1-2-3-4-12-5-7-13(8-6-12)15(11-16)14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyMRHMWDXRMPDCGT-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
CID 12603975
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
4-butyl-N-(dicyclopropylmethyl)aniline
CID 43362849
1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 63431901
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-2-cyclopropylacetaldehyde?
The IUPAC name of 2-(4-butylphenyl)-2-cyclopropylacetaldehyde (CID 112507846) is 2-(4-butylphenyl)-2-cyclopropylacetaldehyde.
What is the SMILES notation for 2-(4-butylphenyl)-2-cyclopropylacetaldehyde?
The canonical SMILES for 2-(4-butylphenyl)-2-cyclopropylacetaldehyde is CCCCc1ccc(C(C=O)C2CC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-2-cyclopropylacetaldehyde?
The InChIKey is MRHMWDXRMPDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-12-5-7-13(8-6-12)15(11-16)14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-butylphenyl)-2-cyclopropylacetaldehyde?
2-(4-butylphenyl)-2-cyclopropylacetaldehyde has a molecular weight of 216.32 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-2-cyclopropylacetaldehyde is sourced from PubChem (CID 112507846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).