3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one

C15H10BrClO2 — CID 71821318

IUPAC3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Br)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10BrClO2/c16-11-3-1-2-10(8-11)4-6-14(18)13-9-12(17)5-7-15(13)19/h1-9,19H
InChIKeyGGGIUMFYOKMCHF-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.70
Rot. Bonds3

About 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one

3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 71821318) has the molecular formula C15H10BrClO2 and a molecular weight of 337.60 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
PubChem CID71821318
Molecular FormulaC15H10BrClO2
Molecular Weight337.60 g/mol
Exact Mass335.96
IUPAC Name3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Br)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10BrClO2/c16-11-3-1-2-10(8-11)4-6-14(18)13-9-12(17)5-7-15(13)19/h1-9,19H
InChIKeyGGGIUMFYOKMCHF-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-hydroxyphenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 67174273
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 24824993
3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 54161094
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
CID 101412445
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316
(E)-3-(3-chlorophenyl)-1-(2-hydroxy-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 168891145
methyl 2-[3-(3-bromophenyl)prop-2-enoylamino]-5-chlorobenzoate
CID 66680219
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one (CID 71821318) is 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is O=C(C=Cc1cccc(Br)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is GGGIUMFYOKMCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO2/c16-11-3-1-2-10(8-11)4-6-14(18)13-9-12(17)5-7-15(13)19/h1-9,19H.
What are the key properties of 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one?
3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 337.60 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 71821318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).