1-(4-bromophenyl)-2-phenylethanol

C14H13BrO — CID 10858776

IUPAC1-(4-bromophenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyJYLIIPKJJWWRMG-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-bromophenyl)-2-phenylethanol

1-(4-bromophenyl)-2-phenylethanol (PubChem CID 10858776) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylethanol
PubChem CID10858776
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-(4-bromophenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyJYLIIPKJJWWRMG-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenylethanol?
The IUPAC name of 1-(4-bromophenyl)-2-phenylethanol (CID 10858776) is 1-(4-bromophenyl)-2-phenylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylethanol is OC(Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylethanol?
The InChIKey is JYLIIPKJJWWRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14,16H,10H2.
What are the key properties of 1-(4-bromophenyl)-2-phenylethanol?
1-(4-bromophenyl)-2-phenylethanol has a molecular weight of 277.16 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenylethanol is sourced from PubChem (CID 10858776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).