2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one

C16H18O2 — CID 63319560

IUPAC2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1C(=O)C1CC1
InChIInChI=1S/C16H18O2/c17-15-9-8-13(11-4-2-1-3-5-11)10-14(15)16(18)12-6-7-12/h1-5,12-14H,6-10H2
InChIKeyRTMIBGIEXTYFIT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one

2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one (PubChem CID 63319560) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one
PubChem CID63319560
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1C(=O)C1CC1
InChIInChI=1S/C16H18O2/c17-15-9-8-13(11-4-2-1-3-5-11)10-14(15)16(18)12-6-7-12/h1-5,12-14H,6-10H2
InChIKeyRTMIBGIEXTYFIT-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one?
The IUPAC name of 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one (CID 63319560) is 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one is O=C1CCC(c2ccccc2)CC1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one?
The InChIKey is RTMIBGIEXTYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-15-9-8-13(11-4-2-1-3-5-11)10-14(15)16(18)12-6-7-12/h1-5,12-14H,6-10H2.
What are the key properties of 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one?
2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-4-phenylcyclohexan-1-one is sourced from PubChem (CID 63319560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).