(4-bromophenyl)-(4-phenoxyphenyl)methanone

C19H13BrO2 — CID 139928353

IUPAC(4-bromophenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H13BrO2/c20-16-10-6-14(7-11-16)19(21)15-8-12-18(13-9-15)22-17-4-2-1-3-5-17/h1-13H
InChIKeyNOZLKFXNFNQZOB-UHFFFAOYSA-N
MW353.22 g/mol
LogP5.47
Rot. Bonds4

About (4-bromophenyl)-(4-phenoxyphenyl)methanone

(4-bromophenyl)-(4-phenoxyphenyl)methanone (PubChem CID 139928353) has the molecular formula C19H13BrO2 and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-bromophenyl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-phenoxyphenyl)methanone
PubChem CID139928353
Molecular FormulaC19H13BrO2
Molecular Weight353.22 g/mol
Exact Mass352.01
IUPAC Name(4-bromophenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H13BrO2/c20-16-10-6-14(7-11-16)19(21)15-8-12-18(13-9-15)22-17-4-2-1-3-5-17/h1-13H
InChIKeyNOZLKFXNFNQZOB-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.22
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
CID 11501584
4-phenoxybenzoyl bromide
CID 116924551

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(4-phenoxyphenyl)methanone (CID 139928353) is (4-bromophenyl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-phenoxyphenyl)methanone is O=C(c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-phenoxyphenyl)methanone?
The InChIKey is NOZLKFXNFNQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-16-10-6-14(7-11-16)19(21)15-8-12-18(13-9-15)22-17-4-2-1-3-5-17/h1-13H.
What are the key properties of (4-bromophenyl)-(4-phenoxyphenyl)methanone?
(4-bromophenyl)-(4-phenoxyphenyl)methanone has a molecular weight of 353.22 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 139928353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).