2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol

C15H21BrO2 — CID 116753460

IUPAC2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H21BrO2/c1-18-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14,17H,2-4,8-9,11H2,1H3
InChIKeyYTSCARWOVVROPR-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol

2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol (PubChem CID 116753460) has the molecular formula C15H21BrO2 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
PubChem CID116753460
Molecular FormulaC15H21BrO2
Molecular Weight313.23 g/mol
Exact Mass312.07
IUPAC Name2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H21BrO2/c1-18-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14,17H,2-4,8-9,11H2,1H3
InChIKeyYTSCARWOVVROPR-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080727

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol (CID 116753460) is 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol is COC1(C(O)Cc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol?
The InChIKey is YTSCARWOVVROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-18-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14,17H,2-4,8-9,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol?
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol has a molecular weight of 313.23 g/mol, XLogP of 3.70, 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-methoxycyclohexyl)ethanol is sourced from PubChem (CID 116753460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).