1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol

C15H20Cl2O — CID 65153745

IUPAC1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2c(Cl)cccc2Cl)C1C
InChIInChI=1S/C15H20Cl2O/c1-10-5-4-8-15(18,11(10)2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3
InChIKeyVDRKTFUDBIBIBR-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.72
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 65153745) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID65153745
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2c(Cl)cccc2Cl)C1C
InChIInChI=1S/C15H20Cl2O/c1-10-5-4-8-15(18,11(10)2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3
InChIKeyVDRKTFUDBIBIBR-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
1-[(2,6-dichlorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149113
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114501801
1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154331
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
CID 65154330
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
CID 19862215
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 65153745) is 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2c(Cl)cccc2Cl)C1C.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is VDRKTFUDBIBIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-10-5-4-8-15(18,11(10)2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 287.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65153745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).