2-(2-bromophenyl)ethenol

C8H7BrO — CID 174465941

IUPAC2-(2-bromophenyl)ethenol
SMILESOC=Cc1ccccc1Br
InChIInChI=1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-6,10H
InChIKeyYDFDFLFQSJFXPX-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.98
Rot. Bonds1

About 2-(2-bromophenyl)ethenol

2-(2-bromophenyl)ethenol (PubChem CID 174465941) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 2-(2-bromophenyl)ethenol.

Molecular Properties

Compound Name2-(2-bromophenyl)ethenol
PubChem CID174465941
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name2-(2-bromophenyl)ethenol
SMILESOC=Cc1ccccc1Br
InChIInChI=1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-6,10H
InChIKeyYDFDFLFQSJFXPX-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
2-[(E)-2-hydroxyethenyl]benzaldehyde
CID 98052908
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
(2E,4E)-5-(2-bromophenyl)-N-(diaminomethylidene)penta-2,4-dienamide
CID 58870307
4-[(E)-2-(2-bromophenyl)ethenyl]aniline
CID 89320791
2-[(E)-2-(2-bromophenyl)ethenyl]furan
CID 11831804
1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
CID 10315048
4-[(Z)-2-(2-bromophenyl)ethenyl]pyridine;hydrochloride
CID 54611204
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)ethenol?
The IUPAC name of 2-(2-bromophenyl)ethenol (CID 174465941) is 2-(2-bromophenyl)ethenol.
What is the SMILES notation for 2-(2-bromophenyl)ethenol?
The canonical SMILES for 2-(2-bromophenyl)ethenol is OC=Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)ethenol?
The InChIKey is YDFDFLFQSJFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-6,10H.
What are the key properties of 2-(2-bromophenyl)ethenol?
2-(2-bromophenyl)ethenol has a molecular weight of 199.05 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)ethenol is sourced from PubChem (CID 174465941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).