(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol

C12H9BrCl2OS — CID 102829537

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
SMILESCc1sc(C(O)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C12H9BrCl2OS/c1-6-8(13)5-11(17-6)12(16)7-2-3-9(14)10(15)4-7/h2-5,12,16H,1H3
InChIKeyFDIDDHXKDPUSLW-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.21
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol

(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol (PubChem CID 102829537) has the molecular formula C12H9BrCl2OS and a molecular weight of 352.08 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
PubChem CID102829537
Molecular FormulaC12H9BrCl2OS
Molecular Weight352.08 g/mol
Exact Mass349.89
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
SMILESCc1sc(C(O)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C12H9BrCl2OS/c1-6-8(13)5-11(17-6)12(16)7-2-3-9(14)10(15)4-7/h2-5,12,16H,1H3
InChIKeyFDIDDHXKDPUSLW-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
(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
(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)-(3-ethylphenyl)methanol
CID 102829560
3-bromo-5-[chloro-(3-chloro-4-fluorophenyl)methyl]-2-methylthiophene
CID 102835536
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 107978749

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol (CID 102829537) is (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol is Cc1sc(C(O)c2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol?
The InChIKey is FDIDDHXKDPUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2OS/c1-6-8(13)5-11(17-6)12(16)7-2-3-9(14)10(15)4-7/h2-5,12,16H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol has a molecular weight of 352.08 g/mol, XLogP of 5.21, 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)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 102829537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).