2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C15H18Cl2O2 — CID 103450708

IUPAC2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2O2/c1-10-4-6-15(19,7-5-10)14(18)9-11-2-3-12(16)13(17)8-11/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyLOKMREVYYTZBPX-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.05
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450708) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450708
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2O2/c1-10-4-6-15(19,7-5-10)14(18)9-11-2-3-12(16)13(17)8-11/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyLOKMREVYYTZBPX-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450708) is 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is CC1CCC(O)(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is LOKMREVYYTZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c1-10-4-6-15(19,7-5-10)14(18)9-11-2-3-12(16)13(17)8-11/h2-3,8,10,19H,4-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 301.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).