1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

C15H20BrClO — CID 113471149

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H20BrClO/c1-14(2)5-7-15(18,8-6-14)10-11-3-4-12(16)9-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyPLMWMVKRCPEXHZ-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.98
Rot. Bonds2

About 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 113471149) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID113471149
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H20BrClO/c1-14(2)5-7-15(18,8-6-14)10-11-3-4-12(16)9-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyPLMWMVKRCPEXHZ-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
CID 117354310
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
1-[(4-bromo-2-chlorophenyl)methyl]cycloheptan-1-amine
CID 113471164
1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117358896
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(4-bromo-2-chlorophenyl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 112745352
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (CID 113471149) is 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(Cc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is PLMWMVKRCPEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-14(2)5-7-15(18,8-6-14)10-11-3-4-12(16)9-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 331.68 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 113471149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).