3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one

C16H18O — CID 168962351

IUPAC3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C2=CCCCC2)Cc2ccccc21
InChIInChI=1S/C16H18O/c17-16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)16/h4-6,8-9,14H,1-3,7,10-11H2
InChIKeyZHDPCHQAHBXWJZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.93
Rot. Bonds1

About 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one

3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 168962351) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID168962351
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C2=CCCCC2)Cc2ccccc21
InChIInChI=1S/C16H18O/c17-16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)16/h4-6,8-9,14H,1-3,7,10-11H2
InChIKeyZHDPCHQAHBXWJZ-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 168962351) is 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(C2=CCCCC2)Cc2ccccc21.
What is the InChIKey of 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZHDPCHQAHBXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c17-16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)16/h4-6,8-9,14H,1-3,7,10-11H2.
What are the key properties of 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 226.32 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 168962351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).