1-cyclopropyl-2-phenylethanone

C11H12O — CID 549679

IUPAC1-cyclopropyl-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CC1
InChIInChI=1S/C11H12O/c12-11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRXZJHESCHPMWEK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclopropyl-2-phenylethanone

1-cyclopropyl-2-phenylethanone (PubChem CID 549679) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-phenylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-phenylethanone
PubChem CID549679
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-cyclopropyl-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CC1
InChIInChI=1S/C11H12O/c12-11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRXZJHESCHPMWEK-UHFFFAOYSA-N
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-phenylethanone?
The IUPAC name of 1-cyclopropyl-2-phenylethanone (CID 549679) is 1-cyclopropyl-2-phenylethanone.
What is the SMILES notation for 1-cyclopropyl-2-phenylethanone?
The canonical SMILES for 1-cyclopropyl-2-phenylethanone is O=C(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-phenylethanone?
The InChIKey is RXZJHESCHPMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 1-cyclopropyl-2-phenylethanone?
1-cyclopropyl-2-phenylethanone has a molecular weight of 160.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-phenylethanone is sourced from PubChem (CID 549679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).