cyclohexyl-(2-propoxynaphthalen-1-yl)methanone

C20H24O2 — CID 82550350

IUPACcyclohexyl-(2-propoxynaphthalen-1-yl)methanone
SMILESCCCOc1ccc2ccccc2c1C(=O)C1CCCCC1
InChIInChI=1S/C20H24O2/c1-2-14-22-18-13-12-15-8-6-7-11-17(15)19(18)20(21)16-9-4-3-5-10-16/h6-8,11-13,16H,2-5,9-10,14H2,1H3
InChIKeyIGYSESHSLFOVDE-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.39
Rot. Bonds5

About cyclohexyl-(2-propoxynaphthalen-1-yl)methanone

cyclohexyl-(2-propoxynaphthalen-1-yl)methanone (PubChem CID 82550350) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is cyclohexyl-(2-propoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-propoxynaphthalen-1-yl)methanone
PubChem CID82550350
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Namecyclohexyl-(2-propoxynaphthalen-1-yl)methanone
SMILESCCCOc1ccc2ccccc2c1C(=O)C1CCCCC1
InChIInChI=1S/C20H24O2/c1-2-14-22-18-13-12-15-8-6-7-11-17(15)19(18)20(21)16-9-4-3-5-10-16/h6-8,11-13,16H,2-5,9-10,14H2,1H3
InChIKeyIGYSESHSLFOVDE-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
cyclopentyl-[4-[2-(methylamino)ethoxy]naphthalen-1-yl]methanone
CID 156563786
(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
CID 82263104
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
1-ethyl-2-propoxynaphthalene
CID 129259410
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
CID 157383372

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-propoxynaphthalen-1-yl)methanone?
The IUPAC name of cyclohexyl-(2-propoxynaphthalen-1-yl)methanone (CID 82550350) is cyclohexyl-(2-propoxynaphthalen-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-propoxynaphthalen-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2-propoxynaphthalen-1-yl)methanone is CCCOc1ccc2ccccc2c1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-propoxynaphthalen-1-yl)methanone?
The InChIKey is IGYSESHSLFOVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-14-22-18-13-12-15-8-6-7-11-17(15)19(18)20(21)16-9-4-3-5-10-16/h6-8,11-13,16H,2-5,9-10,14H2,1H3.
What are the key properties of cyclohexyl-(2-propoxynaphthalen-1-yl)methanone?
cyclohexyl-(2-propoxynaphthalen-1-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-propoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 82550350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).