(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol

C12H10BrClOS — CID 65278280

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C12H10BrClOS/c1-7-5-10(13)12(16-7)11(15)8-3-2-4-9(14)6-8/h2-6,11,15H,1H3
InChIKeyWCAYSLPOEWUAAJ-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.55
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol

(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol (PubChem CID 65278280) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
PubChem CID65278280
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C12H10BrClOS/c1-7-5-10(13)12(16-7)11(15)8-3-2-4-9(14)6-8/h2-6,11,15H,1H3
InChIKeyWCAYSLPOEWUAAJ-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
CID 65278364
1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
CID 65278533
(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 65278221
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
3-bromo-2-[chloro-(4-chlorophenyl)methyl]-5-methylthiophene
CID 65278975
(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 65278850
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol (CID 65278280) is (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol is Cc1cc(Br)c(C(O)c2cccc(Cl)c2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol?
The InChIKey is WCAYSLPOEWUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-7-5-10(13)12(16-7)11(15)8-3-2-4-9(14)6-8/h2-6,11,15H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol?
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol has a molecular weight of 317.64 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol is sourced from PubChem (CID 65278280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).