1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol

C16H23BrO — CID 64749909

IUPAC1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(C)(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrO/c1-3-12-7-9-13(10-8-12)16(2,18)14-5-4-6-15(17)11-14/h4-6,11-13,18H,3,7-10H2,1-2H3
InChIKeyWDUGHPIKVGKHJY-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.87
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol

1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol (PubChem CID 64749909) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol
PubChem CID64749909
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(C)(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrO/c1-3-12-7-9-13(10-8-12)16(2,18)14-5-4-6-15(17)11-14/h4-6,11-13,18H,3,7-10H2,1-2H3
InChIKeyWDUGHPIKVGKHJY-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-1-(thiolan-3-yl)ethanol
CID 115052429
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-[1-(3-bromophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79130290
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
3-(3-bromophenyl)pentan-3-ol
CID 57443482
1-(3-bromophenyl)-1-(oxan-4-yl)propan-1-ol
CID 114079201
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 114910790
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol (CID 64749909) is 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol is CCC1CCC(C(C)(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is WDUGHPIKVGKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-3-12-7-9-13(10-8-12)16(2,18)14-5-4-6-15(17)11-14/h4-6,11-13,18H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol?
1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 311.26 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol is sourced from PubChem (CID 64749909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).