2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol

C15H21BrO — CID 63411098

IUPAC2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13,15,17H,5-8,10H2,1H3
InChIKeyAKEOOSNMSZXXPO-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol

2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 63411098) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
PubChem CID63411098
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13,15,17H,5-8,10H2,1H3
InChIKeyAKEOOSNMSZXXPO-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 64738018
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol (CID 63411098) is 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol is CC1CCC(C(O)Cc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is AKEOOSNMSZXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13,15,17H,5-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol?
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 297.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 63411098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).