(1-methoxycyclohexyl)-naphthalen-2-ylmethanone

C18H20O2 — CID 116747974

IUPAC(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
SMILESCOC1(C(=O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H20O2/c1-20-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyBDNHFHCYMLYNNY-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.37
Rot. Bonds3

About (1-methoxycyclohexyl)-naphthalen-2-ylmethanone

(1-methoxycyclohexyl)-naphthalen-2-ylmethanone (PubChem CID 116747974) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
PubChem CID116747974
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
SMILESCOC1(C(=O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H20O2/c1-20-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyBDNHFHCYMLYNNY-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
[1-(4-methoxybenzoyl)cyclohexyl] formate
CID 87509300
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
ethane;methyl naphthalene-2-carboxylate
CID 143895262

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-naphthalen-2-ylmethanone?
The IUPAC name of (1-methoxycyclohexyl)-naphthalen-2-ylmethanone (CID 116747974) is (1-methoxycyclohexyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (1-methoxycyclohexyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (1-methoxycyclohexyl)-naphthalen-2-ylmethanone is COC1(C(=O)c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-naphthalen-2-ylmethanone?
The InChIKey is BDNHFHCYMLYNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,2,5-6,11-12H2,1H3.
What are the key properties of (1-methoxycyclohexyl)-naphthalen-2-ylmethanone?
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 116747974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).