2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone

C15H18Cl2O2 — CID 107308035

IUPAC2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C15H18Cl2O2/c1-19-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7H,2-4,8-10H2,1H3
InChIKeyKRRVPIIZLGDMEA-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone

2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone (PubChem CID 107308035) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
PubChem CID107308035
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C15H18Cl2O2/c1-19-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7H,2-4,8-10H2,1H3
InChIKeyKRRVPIIZLGDMEA-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 102857313
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750542
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
1-(2,3-dichlorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 107311363
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450231
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone (CID 107308035) is 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone is COC1(C(=O)Cc2cccc(Cl)c2Cl)CCCCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone?
The InChIKey is KRRVPIIZLGDMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c1-19-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7H,2-4,8-10H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone?
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone has a molecular weight of 301.21 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone is sourced from PubChem (CID 107308035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).