2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one

C17H20O — CID 2732714

IUPAC2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCCCC2)CCc2ccccc21
InChIInChI=1S/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKeyRGQLXQCDOGHGGP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.32
Rot. Bonds1

About 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one

2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 2732714) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID2732714
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCCCC2)CCc2ccccc21
InChIInChI=1S/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKeyRGQLXQCDOGHGGP-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one (CID 2732714) is 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1C(=CC2CCCCC2)CCc2ccccc21.
What is the InChIKey of 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is RGQLXQCDOGHGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2.
What are the key properties of 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one?
2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 2732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).