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

C18H19BrO — CID 63080727

IUPAC2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESOC(Cc1cccc(Br)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19BrO/c19-16-9-4-6-14(12-16)13-17(20)18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13H2
InChIKeyOVIKHCWZXCYEAO-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.47
Rot. Bonds4

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

2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol (PubChem CID 63080727) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
PubChem CID63080727
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESOC(Cc1cccc(Br)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19BrO/c19-16-9-4-6-14(12-16)13-17(20)18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13H2
InChIKeyOVIKHCWZXCYEAO-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
[2-(3-bromophenyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217124
2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080555
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
CID 63414129
2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080039
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
CID 63414703
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol (CID 63080727) is 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol is OC(Cc1cccc(Br)c1)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol?
The InChIKey is OVIKHCWZXCYEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c19-16-9-4-6-14(12-16)13-17(20)18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13H2.
What are the key properties of 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol?
2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol has a molecular weight of 331.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol is sourced from PubChem (CID 63080727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).