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

C17H22O2 — CID 65455951

IUPAC5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCCC(Oc2cccc3c2CCCC3=O)C1
InChIInChI=1S/C17H22O2/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3
InChIKeyQEURIALWMLLXGH-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.16
Rot. Bonds2

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

5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455951) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455951
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCCC(Oc2cccc3c2CCCC3=O)C1
InChIInChI=1S/C17H22O2/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3
InChIKeyQEURIALWMLLXGH-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

N-methyl-5-(3-methylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455366
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
5-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 65454441
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
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
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one (CID 65455951) is 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one is CC1CCCC(Oc2cccc3c2CCCC3=O)C1.
What is the InChIKey of 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QEURIALWMLLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).