(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone

C13H8BrO3P — CID 126610776

IUPAC(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
SMILESO=POc1cccc(C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H8BrO3P/c14-11-5-1-3-9(7-11)13(15)10-4-2-6-12(8-10)17-18-16/h1-8H
InChIKeyZYKDXSFAKOSNOL-UHFFFAOYSA-N
MW323.08 g/mol
LogP4.27
Rot. Bonds4

About (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone

(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone (PubChem CID 126610776) has the molecular formula C13H8BrO3P and a molecular weight of 323.08 g/mol. Its IUPAC name is (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
PubChem CID126610776
Molecular FormulaC13H8BrO3P
Molecular Weight323.08 g/mol
Exact Mass321.94
IUPAC Name(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
SMILESO=POc1cccc(C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H8BrO3P/c14-11-5-1-3-9(7-11)13(15)10-4-2-6-12(8-10)17-18-16/h1-8H
InChIKeyZYKDXSFAKOSNOL-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.08
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone?
The IUPAC name of (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone (CID 126610776) is (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone is O=POc1cccc(C(=O)c2cccc(Br)c2)c1.
What is the InChIKey of (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone?
The InChIKey is ZYKDXSFAKOSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrO3P/c14-11-5-1-3-9(7-11)13(15)10-4-2-6-12(8-10)17-18-16/h1-8H.
What are the key properties of (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone?
(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone has a molecular weight of 323.08 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-phosphorosooxyphenyl)methanone is sourced from PubChem (CID 126610776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).