(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol

C12H10BrClOS — CID 80530211

IUPAC(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCc1c(Br)cccc1C(O)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c1-7-8(3-2-4-9(7)13)11(15)12-10(14)5-6-16-12/h2-6,11,15H,1H3
InChIKeyUQGABODHQOKTHF-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.55
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol

(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80530211) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80530211
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCc1c(Br)cccc1C(O)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c1-7-8(3-2-4-9(7)13)11(15)12-10(14)5-6-16-12/h2-6,11,15H,1H3
InChIKeyUQGABODHQOKTHF-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

(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
1-(3-bromo-2-methylphenyl)-2,2-dichloroethanol
CID 164892436
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 80642386
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol (CID 80530211) is (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol is Cc1c(Br)cccc1C(O)c1sccc1Cl.
What is the InChIKey of (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is UQGABODHQOKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-7-8(3-2-4-9(7)13)11(15)12-10(14)5-6-16-12/h2-6,11,15H,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol?
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)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-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80530211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).