(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol

C13H12BrClOS — CID 61088539

IUPAC(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C13H12BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3
InChIKeyNDOGQOUCVKAYPU-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.86
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol

(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 61088539) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID61088539
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C13H12BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3
InChIKeyNDOGQOUCVKAYPU-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

1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 81111173
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 107950365

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol (CID 61088539) is (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccc(Br)cc2Cl)c(C)s1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is NDOGQOUCVKAYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)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 (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 61088539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).