2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one

C18H18O2 — CID 142761893

IUPAC2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H18O2/c19-17-11-4-3-10-16(17)18(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2
InChIKeyVUWAAKSQSBOLQK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.71
Rot. Bonds3

About 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one

2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one (PubChem CID 142761893) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
PubChem CID142761893
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H18O2/c19-17-11-4-3-10-16(17)18(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2
InChIKeyVUWAAKSQSBOLQK-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.71
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-(2-naphthalen-1-ylacetyl)cyclohexan-1-one?
The IUPAC name of 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one (CID 142761893) is 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one is O=C1CCCCC1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one?
The InChIKey is VUWAAKSQSBOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-17-11-4-3-10-16(17)18(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2.
What are the key properties of 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one?
2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one is sourced from PubChem (CID 142761893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).