5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

C17H22O2 — CID 65455572

IUPAC5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC3CCCCC3)cccc21
InChIInChI=1S/C17H22O2/c18-16-10-4-9-15-14(16)8-5-11-17(15)19-12-13-6-2-1-3-7-13/h5,8,11,13H,1-4,6-7,9-10,12H2
InChIKeyGBLXKHWXVKAPQI-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.16
Rot. Bonds3

About 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455572) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455572
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC3CCCCC3)cccc21
InChIInChI=1S/C17H22O2/c18-16-10-4-9-15-14(16)8-5-11-17(15)19-12-13-6-2-1-3-7-13/h5,8,11,13H,1-4,6-7,9-10,12H2
InChIKeyGBLXKHWXVKAPQI-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
5-(3-methylsulfanylpropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 115651095
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156
5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455581
5-(2-hydroxy-2-methylbutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 114493926
5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 65455951

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65455572) is 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCC3CCCCC3)cccc21.
What is the InChIKey of 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GBLXKHWXVKAPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16-10-4-9-15-14(16)8-5-11-17(15)19-12-13-6-2-1-3-7-13/h5,8,11,13H,1-4,6-7,9-10,12H2.
What are the key properties of 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).