2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone

C19H22O2 — CID 63491322

IUPAC2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)CC3CCCCC3)ccc2c1
InChIInChI=1S/C19H22O2/c1-21-18-10-9-15-12-17(8-7-16(15)13-18)19(20)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3
InChIKeyKZCLORAUZSTXOC-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.00
Rot. Bonds4

About 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone

2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 63491322) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID63491322
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)CC3CCCCC3)ccc2c1
InChIInChI=1S/C19H22O2/c1-21-18-10-9-15-12-17(8-7-16(15)13-18)19(20)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3
InChIKeyKZCLORAUZSTXOC-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
CID 23856260
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone (CID 63491322) is 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(=O)CC3CCCCC3)ccc2c1.
What is the InChIKey of 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is KZCLORAUZSTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-21-18-10-9-15-12-17(8-7-16(15)13-18)19(20)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone?
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 63491322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).