2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone

C14H16Cl2O2 — CID 43799312

IUPAC2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(COC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2O2/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyBJFVVCPXEOLJMS-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.53
Rot. Bonds4

About 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone

2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone (PubChem CID 43799312) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
PubChem CID43799312
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(COC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2O2/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyBJFVVCPXEOLJMS-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
CID 87004616
2-(cyclopentylmethylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 63407663
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
CID 61288416

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone (CID 43799312) is 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone is O=C(COC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is BJFVVCPXEOLJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone?
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 287.19 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 43799312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).