(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone

C11H7BrO2S — CID 91881860

IUPAC(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(O)c(Br)s1
InChIInChI=1S/C11H7BrO2S/c12-11-8(13)6-9(15-11)10(14)7-4-2-1-3-5-7/h1-6,13H
InChIKeyQYGCJUDZJHXDDL-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.45
Rot. Bonds2

About (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone

(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone (PubChem CID 91881860) has the molecular formula C11H7BrO2S and a molecular weight of 283.15 g/mol. Its IUPAC name is (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
PubChem CID91881860
Molecular FormulaC11H7BrO2S
Molecular Weight283.15 g/mol
Exact Mass281.94
IUPAC Name(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(O)c(Br)s1
InChIInChI=1S/C11H7BrO2S/c12-11-8(13)6-9(15-11)10(14)7-4-2-1-3-5-7/h1-6,13H
InChIKeyQYGCJUDZJHXDDL-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
diphenylmethanone
CID 3102
[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
CID 102363758
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone (CID 91881860) is (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(O)c(Br)s1.
What is the InChIKey of (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone?
The InChIKey is QYGCJUDZJHXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2S/c12-11-8(13)6-9(15-11)10(14)7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone?
(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone has a molecular weight of 283.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 91881860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).