1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

C15H20Cl2O — CID 65316674

IUPAC1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1C
InChIInChI=1S/C15H20Cl2O/c1-10-5-6-15(18,8-11(10)2)9-12-7-13(16)3-4-14(12)17/h3-4,7,10-11,18H,5-6,8-9H2,1-2H3
InChIKeyWCNQYUWDGWDDRV-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.72
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (PubChem CID 65316674) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
PubChem CID65316674
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1C
InChIInChI=1S/C15H20Cl2O/c1-10-5-6-15(18,8-11(10)2)9-12-7-13(16)3-4-14(12)17/h3-4,7,10-11,18H,5-6,8-9H2,1-2H3
InChIKeyWCNQYUWDGWDDRV-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

4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 64745866
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 65316567
1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65479093
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
2-(2,5-dichlorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572598
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (CID 65316674) is 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1C.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The InChIKey is WCNQYUWDGWDDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-10-5-6-15(18,8-11(10)2)9-12-7-13(16)3-4-14(12)17/h3-4,7,10-11,18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
1-[(2,5-dichlorophenyl)methyl]-3,4-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-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65316674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).