3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol

C9H8BrClO — CID 169454245

IUPAC3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
SMILESOCC=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5H2
InChIKeyIFQHDZILEGUQSU-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol

3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol (PubChem CID 169454245) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
PubChem CID169454245
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
SMILESOCC=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5H2
InChIKeyIFQHDZILEGUQSU-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12641157
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4-(4-bromo-3-chlorophenyl)but-3-ene-1-thiol
CID 170479381
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
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CID 169453327
4-(4-azidobut-1-enyl)-1-bromo-2-chlorobenzene
CID 170486314
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
1-bromo-4-[(E)-3-bromobut-1-enyl]-2-chlorobenzene
CID 130539361
3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
CID 79334896
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol (CID 169454245) is 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol is OCC=Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol?
The InChIKey is IFQHDZILEGUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5H2.
What are the key properties of 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol?
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol has a molecular weight of 247.52 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).