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

C11H6Br3ClOS — CID 63426559

IUPAC(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3ClOS/c12-5-1-2-8(15)6(3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeySNVPZVQMHMEJJX-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.77
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 63426559) has the molecular formula C11H6Br3ClOS and a molecular weight of 461.40 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID63426559
Molecular FormulaC11H6Br3ClOS
Molecular Weight461.40 g/mol
Exact Mass457.74
IUPAC Name(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3ClOS/c12-5-1-2-8(15)6(3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeySNVPZVQMHMEJJX-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

(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 114269187
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 63426559) is (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Br)ccc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is SNVPZVQMHMEJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3ClOS/c12-5-1-2-8(15)6(3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(5-bromo-2-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 (5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 63426559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).