1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one

C15H12BrNO2 — CID 4131664

IUPAC1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one
SMILESO=C(C/C=N/c1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c16-12-6-4-11(5-7-12)15(19)8-9-17-13-2-1-3-14(18)10-13/h1-7,9-10,18H,8H2/b17-9+
InChIKeyZTCJEESFMNUXGT-RQZCQDPDSA-N
MW318.17 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one

1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one (PubChem CID 4131664) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one
PubChem CID4131664
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one
SMILESO=C(C/C=N/c1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c16-12-6-4-11(5-7-12)15(19)8-9-17-13-2-1-3-14(18)10-13/h1-7,9-10,18H,8H2/b17-9+
InChIKeyZTCJEESFMNUXGT-RQZCQDPDSA-N
XLogP4.13
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
1-(4-bromophenyl)-3-hydroxyiminopropan-1-one
CID 173446959
1-(4-bromophenyl)-3-[4-(2-(18F)fluoroethoxy)phenyl]iminopropan-1-one
CID 123817992
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
CID 3564747
1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one
CID 6921941
3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 4127588
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
CID 3562174

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one (CID 4131664) is 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one is O=C(C/C=N/c1cccc(O)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one?
The InChIKey is ZTCJEESFMNUXGT-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-6-4-11(5-7-12)15(19)8-9-17-13-2-1-3-14(18)10-13/h1-7,9-10,18H,8H2/b17-9+.
What are the key properties of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one?
1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one has a molecular weight of 318.17 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one is sourced from PubChem (CID 4131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).