(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol

C13H12BrClOS — CID 115484547

IUPAC(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H12BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6,13,16H,1-2H3
InChIKeyYCVZRWRIPFWEST-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.86
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol

(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 115484547) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID115484547
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H12BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6,13,16H,1-2H3
InChIKeyYCVZRWRIPFWEST-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.66
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(5-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829132
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol (CID 115484547) is (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)c2ccc(Br)s2)cc1C.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is YCVZRWRIPFWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6,13,16H,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol?
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol has a molecular weight of 331.66 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 115484547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).