(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one

C17H15BrO2 — CID 137456973

IUPAC(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccccc1)CCc1ccccc1Br
InChIInChI=1S/C17H15BrO2/c18-16-9-5-4-6-13(16)10-11-15(19)12-17(20)14-7-2-1-3-8-14/h1-9,12,20H,10-11H2/b17-12-
InChIKeyWAYOFXMTDOXPAK-ATVHPVEESA-N
MW331.21 g/mol
LogP4.55
Rot. Bonds5

About (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one

(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one (PubChem CID 137456973) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one
PubChem CID137456973
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccccc1)CCc1ccccc1Br
InChIInChI=1S/C17H15BrO2/c18-16-9-5-4-6-13(16)10-11-15(19)12-17(20)14-7-2-1-3-8-14/h1-9,12,20H,10-11H2/b17-12-
InChIKeyWAYOFXMTDOXPAK-ATVHPVEESA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-(2-bromophenyl)-N-hydroxypropanamide
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1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
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(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
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4-bromo-2,3-dihydroinden-1-one;3-(2-bromophenyl)propanoic acid
CID 162196024
methyl 4-(2-bromophenyl)-2-oxobutanoate
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CID 63899687

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one?
The IUPAC name of (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one (CID 137456973) is (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one.
What is the SMILES notation for (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one?
The canonical SMILES for (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one is O=C(/C=C(\O)c1ccccc1)CCc1ccccc1Br.
What is the InChIKey of (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one?
The InChIKey is WAYOFXMTDOXPAK-ATVHPVEESA-N. The full InChI is InChI=1S/C17H15BrO2/c18-16-9-5-4-6-13(16)10-11-15(19)12-17(20)14-7-2-1-3-8-14/h1-9,12,20H,10-11H2/b17-12-.
What are the key properties of (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one?
(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one has a molecular weight of 331.21 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one is sourced from PubChem (CID 137456973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).