(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol

C13H12BrClOS — CID 102834859

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)s2)cc1Cl
InChIInChI=1S/C13H12BrClOS/c1-7-3-4-9(5-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13,16H,1-2H3
InChIKeyYMIOONCIWABMQA-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.86
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol

(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol (PubChem CID 102834859) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
PubChem CID102834859
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)s2)cc1Cl
InChIInChI=1S/C13H12BrClOS/c1-7-3-4-9(5-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13,16H,1-2H3
InChIKeyYMIOONCIWABMQA-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

(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420
(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
CID 102829560
(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 107562276

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol (CID 102834859) is (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(Br)c(C)s2)cc1Cl.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol?
The InChIKey is YMIOONCIWABMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c1-7-3-4-9(5-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13,16H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)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-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 102834859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).