(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol

C11H6Br3ClOS — CID 114269187

IUPAC(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)c1c(Cl)cccc1Br
InChIInChI=1S/C11H6Br3ClOS/c12-6-2-1-3-7(15)9(6)10(16)5-4-8(13)17-11(5)14/h1-4,10,16H
InChIKeyJMVAVMYVUVGEOG-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.77
Rot. Bonds2

About (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol

(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 114269187) has the molecular formula C11H6Br3ClOS and a molecular weight of 461.40 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID114269187
Molecular FormulaC11H6Br3ClOS
Molecular Weight461.40 g/mol
Exact Mass457.74
IUPAC Name(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)c1c(Cl)cccc1Br
InChIInChI=1S/C11H6Br3ClOS/c12-6-2-1-3-7(15)9(6)10(16)5-4-8(13)17-11(5)14/h1-4,10,16H
InChIKeyJMVAVMYVUVGEOG-UHFFFAOYSA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
1-(2-bromo-6-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863325
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
CID 107964114
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 114269187) is (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Br)sc1Br)c1c(Cl)cccc1Br.
What is the InChIKey of (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is JMVAVMYVUVGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3ClOS/c12-6-2-1-3-7(15)9(6)10(16)5-4-8(13)17-11(5)14/h1-4,10,16H.
What are the key properties of (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 461.40 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 114269187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).