(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone

C13H9BrO3 — CID 23509276

IUPAC(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9BrO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,15-16H
InChIKeyYBNJBVQDDPDCPO-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.09
Rot. Bonds2

About (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone

(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone (PubChem CID 23509276) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
PubChem CID23509276
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9BrO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,15-16H
InChIKeyYBNJBVQDDPDCPO-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
CID 19931688
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 19931686
(3,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 129260082
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
CID 136882732
(4-bromophenyl)-[3-(4-bromophenyl)-5-hydroxyphenyl]methanone
CID 118691544
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
CID 70442762

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone (CID 23509276) is (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone is O=C(c1ccc(Br)cc1)c1ccc(O)c(O)c1.
What is the InChIKey of (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone?
The InChIKey is YBNJBVQDDPDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,15-16H.
What are the key properties of (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone?
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone has a molecular weight of 293.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 23509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).