1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone

C14H16O — CID 79980851

IUPAC1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1cccc(C2CC2)c1
InChIInChI=1S/C14H16O/c1-9(15)13-8-14(13)12-4-2-3-11(7-12)10-5-6-10/h2-4,7,10,13-14H,5-6,8H2,1H3
InChIKeyXZXGKXVMWKEYIO-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.26
Rot. Bonds3

About 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone

1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone (PubChem CID 79980851) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
PubChem CID79980851
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1cccc(C2CC2)c1
InChIInChI=1S/C14H16O/c1-9(15)13-8-14(13)12-4-2-3-11(7-12)10-5-6-10/h2-4,7,10,13-14H,5-6,8H2,1H3
InChIKeyXZXGKXVMWKEYIO-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
1-[2-(3-bromo-4-methylphenyl)cyclopropyl]ethanone
CID 105407809
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
1-[2-(furan-3-yl)cyclopropyl]ethanone
CID 63204245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone (CID 79980851) is 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone is CC(=O)C1CC1c1cccc(C2CC2)c1.
What is the InChIKey of 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone?
The InChIKey is XZXGKXVMWKEYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9(15)13-8-14(13)12-4-2-3-11(7-12)10-5-6-10/h2-4,7,10,13-14H,5-6,8H2,1H3.
What are the key properties of 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone?
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 79980851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).