[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone

C20H13BrO6 — CID 86088620

IUPAC[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)c1cc(Br)cc(C(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C20H13BrO6/c21-14-2-10(19(26)12-4-15(22)8-16(23)5-12)1-11(3-14)20(27)13-6-17(24)9-18(25)7-13/h1-9,22-25H
InChIKeyFDYNPPWBPZCLGT-UHFFFAOYSA-N
MW429.22 g/mol
LogP3.73
Rot. Bonds4

About [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone

[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone (PubChem CID 86088620) has the molecular formula C20H13BrO6 and a molecular weight of 429.22 g/mol. Its IUPAC name is [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
PubChem CID86088620
Molecular FormulaC20H13BrO6
Molecular Weight429.22 g/mol
Exact Mass427.99
IUPAC Name[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)c1cc(Br)cc(C(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C20H13BrO6/c21-14-2-10(19(26)12-4-15(22)8-16(23)5-12)1-11(3-14)20(27)13-6-17(24)9-18(25)7-13/h1-9,22-25H
InChIKeyFDYNPPWBPZCLGT-UHFFFAOYSA-N
XLogP3.73
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.22
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[3-(4-bromophenyl)-5-hydroxyphenyl]methanone
CID 118691544
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
3,5-dihydroxybenzoic acid
CID 66745884
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
CID 19910358
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
benzene-1,3,5-triol
CID 359
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone (CID 86088620) is [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone is O=C(c1cc(O)cc(O)c1)c1cc(Br)cc(C(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone?
The InChIKey is FDYNPPWBPZCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO6/c21-14-2-10(19(26)12-4-15(22)8-16(23)5-12)1-11(3-14)20(27)13-6-17(24)9-18(25)7-13/h1-9,22-25H.
What are the key properties of [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone?
[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone has a molecular weight of 429.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 86088620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).