3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one

C17H18O2 — CID 146389737

IUPAC3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one
SMILESCOc1cc(C2CCCC(=O)C2)c2ccccc2c1
InChIInChI=1S/C17H18O2/c1-19-15-10-13-5-2-3-8-16(13)17(11-15)12-6-4-7-14(18)9-12/h2-3,5,8,10-12H,4,6-7,9H2,1H3
InChIKeyZIMXQLGGIWPZHY-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.08
Rot. Bonds2

About 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one

3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one (PubChem CID 146389737) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one
PubChem CID146389737
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one
SMILESCOc1cc(C2CCCC(=O)C2)c2ccccc2c1
InChIInChI=1S/C17H18O2/c1-19-15-10-13-5-2-3-8-16(13)17(11-15)12-6-4-7-14(18)9-12/h2-3,5,8,10-12H,4,6-7,9H2,1H3
InChIKeyZIMXQLGGIWPZHY-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one?
The IUPAC name of 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one (CID 146389737) is 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one?
The canonical SMILES for 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one is COc1cc(C2CCCC(=O)C2)c2ccccc2c1.
What is the InChIKey of 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one?
The InChIKey is ZIMXQLGGIWPZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-15-10-13-5-2-3-8-16(13)17(11-15)12-6-4-7-14(18)9-12/h2-3,5,8,10-12H,4,6-7,9H2,1H3.
What are the key properties of 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one?
3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one has a molecular weight of 254.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one is sourced from PubChem (CID 146389737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).