[2-(2-bromophenoxy)phenyl]-phenylmethanone

C19H13BrO2 — CID 70097851

IUPAC[2-(2-bromophenoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C19H13BrO2/c20-16-11-5-7-13-18(16)22-17-12-6-4-10-15(17)19(21)14-8-2-1-3-9-14/h1-13H
InChIKeyFPMJTTDOCRZRPP-UHFFFAOYSA-N
MW353.22 g/mol
LogP5.47
Rot. Bonds4

About [2-(2-bromophenoxy)phenyl]-phenylmethanone

[2-(2-bromophenoxy)phenyl]-phenylmethanone (PubChem CID 70097851) has the molecular formula C19H13BrO2 and a molecular weight of 353.22 g/mol. Its IUPAC name is [2-(2-bromophenoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-bromophenoxy)phenyl]-phenylmethanone
PubChem CID70097851
Molecular FormulaC19H13BrO2
Molecular Weight353.22 g/mol
Exact Mass352.01
IUPAC Name[2-(2-bromophenoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C19H13BrO2/c20-16-11-5-7-13-18(16)22-17-12-6-4-10-15(17)19(21)14-8-2-1-3-9-14/h1-13H
InChIKeyFPMJTTDOCRZRPP-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

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
CID 159196325
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 13127036
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-bromophenoxy)phenyl]-phenylmethanone (CID 70097851) is [2-(2-bromophenoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-bromophenoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-bromophenoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1Oc1ccccc1Br.
What is the InChIKey of [2-(2-bromophenoxy)phenyl]-phenylmethanone?
The InChIKey is FPMJTTDOCRZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-16-11-5-7-13-18(16)22-17-12-6-4-10-15(17)19(21)14-8-2-1-3-9-14/h1-13H.
What are the key properties of [2-(2-bromophenoxy)phenyl]-phenylmethanone?
[2-(2-bromophenoxy)phenyl]-phenylmethanone 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 [2-(2-bromophenoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 70097851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).