[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone

C19H12Br2O2 — CID 22494542

IUPAC[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1cccc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C19H12Br2O2/c20-15-6-1-4-13(10-15)19(22)14-5-2-8-17(11-14)23-18-9-3-7-16(21)12-18/h1-12H
InChIKeyVEYVSCPTDOXIAT-UHFFFAOYSA-N
MW432.11 g/mol
LogP6.23
Rot. Bonds4

About [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone

[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone (PubChem CID 22494542) has the molecular formula C19H12Br2O2 and a molecular weight of 432.11 g/mol. Its IUPAC name is [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
PubChem CID22494542
Molecular FormulaC19H12Br2O2
Molecular Weight432.11 g/mol
Exact Mass429.92
IUPAC Name[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1cccc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C19H12Br2O2/c20-15-6-1-4-13(10-15)19(22)14-5-2-8-17(11-14)23-18-9-3-7-16(21)12-18/h1-12H
InChIKeyVEYVSCPTDOXIAT-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.11
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
CID 126610776
[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
3-(6-bromonaphthalen-2-yl)oxybenzoic acid
CID 63941501
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
3-bromo-5-phenoxybenzoic acid
CID 102823557
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone?
The IUPAC name of [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone (CID 22494542) is [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone.
What is the SMILES notation for [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone?
The canonical SMILES for [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone is O=C(c1cccc(Br)c1)c1cccc(Oc2cccc(Br)c2)c1.
What is the InChIKey of [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone?
The InChIKey is VEYVSCPTDOXIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2O2/c20-15-6-1-4-13(10-15)19(22)14-5-2-8-17(11-14)23-18-9-3-7-16(21)12-18/h1-12H.
What are the key properties of [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone?
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone has a molecular weight of 432.11 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone is sourced from PubChem (CID 22494542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).