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

C16H23BrO2 — CID 116754566

IUPAC2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Br)c2)CCC(C)CC1
InChIInChI=1S/C16H23BrO2/c1-12-6-8-16(19-2,9-7-12)15(18)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyDNCYGQYKRDMIDK-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.95
Rot. Bonds4

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

2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 116754566) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID116754566
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Br)c2)CCC(C)CC1
InChIInChI=1S/C16H23BrO2/c1-12-6-8-16(19-2,9-7-12)15(18)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyDNCYGQYKRDMIDK-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
[2-(3-bromophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277532
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 116754566) is 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is COC1(C(O)Cc2cccc(Br)c2)CCC(C)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is DNCYGQYKRDMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-12-6-8-16(19-2,9-7-12)15(18)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 327.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).