2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

C17H25BrO — CID 64767313

IUPAC2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2ccc(Br)cc2)C(O)C1
InChIInChI=1S/C17H25BrO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeyBHFAIMLIQPXDMI-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.81
Rot. Bonds3

About 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 64767313) has the molecular formula C17H25BrO and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID64767313
Molecular FormulaC17H25BrO
Molecular Weight325.29 g/mol
Exact Mass324.11
IUPAC Name2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2ccc(Br)cc2)C(O)C1
InChIInChI=1S/C17H25BrO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeyBHFAIMLIQPXDMI-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 65490567
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
5-methyl-2-(2-methyl-1-thiophen-3-ylpropan-2-yl)cyclohexan-1-ol
CID 64766867
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-iodobenzene
CID 65489176
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64764067
5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol
CID 79824748
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
2-(1-ethoxy-2-methylpropan-2-yl)-5-methylcyclohexan-1-ol
CID 79570834
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (CID 64767313) is 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)Cc2ccc(Br)cc2)C(O)C1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is BHFAIMLIQPXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 325.29 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 64767313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).