2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol

C17H17BrO — CID 79980174

IUPAC2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H17BrO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyPGOLFSYFOCQBSX-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol

2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol (PubChem CID 79980174) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
PubChem CID79980174
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H17BrO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyPGOLFSYFOCQBSX-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
2-(2-amino-4-pyridinyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980090
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol (CID 79980174) is 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol is OC(Cc1ccc(Br)cc1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol?
The InChIKey is PGOLFSYFOCQBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol?
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol has a molecular weight of 317.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79980174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).