2-(3-bromophenyl)-2-phenylethanol

C14H13BrO — CID 118542656

IUPAC2-(3-bromophenyl)-2-phenylethanol
SMILESOCC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h1-9,14,16H,10H2
InChIKeyPKQCCHWXOUVTBV-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-bromophenyl)-2-phenylethanol

2-(3-bromophenyl)-2-phenylethanol (PubChem CID 118542656) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-phenylethanol
PubChem CID118542656
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name2-(3-bromophenyl)-2-phenylethanol
SMILESOCC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h1-9,14,16H,10H2
InChIKeyPKQCCHWXOUVTBV-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
methyl 3-(3-bromophenyl)-3-phenylpropanoate
CID 166079744
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
4-amino-2-(3-bromophenyl)butan-1-ol
CID 115045172
4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
CID 66666079
2-(3-bromophenyl)-4-hydroxybutanoic acid
CID 79440872
3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-phenylethanol?
The IUPAC name of 2-(3-bromophenyl)-2-phenylethanol (CID 118542656) is 2-(3-bromophenyl)-2-phenylethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-phenylethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-phenylethanol is OCC(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-phenylethanol?
The InChIKey is PKQCCHWXOUVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h1-9,14,16H,10H2.
What are the key properties of 2-(3-bromophenyl)-2-phenylethanol?
2-(3-bromophenyl)-2-phenylethanol has a molecular weight of 277.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-phenylethanol is sourced from PubChem (CID 118542656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).