(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone

C15H18O — CID 114602016

IUPAC(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C15H18O/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyDYAXMHXCMZLMPY-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.94
Rot. Bonds3

About (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone

(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone (PubChem CID 114602016) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
PubChem CID114602016
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C15H18O/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyDYAXMHXCMZLMPY-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone (CID 114602016) is (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone is CC1(C(=O)c2ccccc2C2CCC2)CC1.
What is the InChIKey of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone?
The InChIKey is DYAXMHXCMZLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11H,4-6,9-10H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone?
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone has a molecular weight of 214.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 114602016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).