bis[4-(3-bromophenoxy)phenyl]methanone

C25H16Br2O3 — CID 22494465

IUPACbis[4-(3-bromophenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(Br)c2)cc1)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C25H16Br2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H
InChIKeySHKUOYGTANZXGD-UHFFFAOYSA-N
MW524.21 g/mol
LogP8.03
Rot. Bonds6

About bis[4-(3-bromophenoxy)phenyl]methanone

bis[4-(3-bromophenoxy)phenyl]methanone (PubChem CID 22494465) has the molecular formula C25H16Br2O3 and a molecular weight of 524.21 g/mol. Its IUPAC name is bis[4-(3-bromophenoxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(3-bromophenoxy)phenyl]methanone
PubChem CID22494465
Molecular FormulaC25H16Br2O3
Molecular Weight524.21 g/mol
Exact Mass521.95
IUPAC Namebis[4-(3-bromophenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(Br)c2)cc1)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C25H16Br2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H
InChIKeySHKUOYGTANZXGD-UHFFFAOYSA-N
XLogP8.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.21
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
(E)-3-[4-(3-bromophenoxy)phenyl]prop-2-enoic acid
CID 29058852
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180

Frequently Asked Questions

What is the IUPAC name of bis[4-(3-bromophenoxy)phenyl]methanone?
The IUPAC name of bis[4-(3-bromophenoxy)phenyl]methanone (CID 22494465) is bis[4-(3-bromophenoxy)phenyl]methanone.
What is the SMILES notation for bis[4-(3-bromophenoxy)phenyl]methanone?
The canonical SMILES for bis[4-(3-bromophenoxy)phenyl]methanone is O=C(c1ccc(Oc2cccc(Br)c2)cc1)c1ccc(Oc2cccc(Br)c2)cc1.
What is the InChIKey of bis[4-(3-bromophenoxy)phenyl]methanone?
The InChIKey is SHKUOYGTANZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H.
What are the key properties of bis[4-(3-bromophenoxy)phenyl]methanone?
bis[4-(3-bromophenoxy)phenyl]methanone has a molecular weight of 524.21 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(3-bromophenoxy)phenyl]methanone is sourced from PubChem (CID 22494465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).