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

C13H12BrClOS — CID 107098892

IUPAC(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1sc(Br)cc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H12BrClOS/c1-7-9(4-3-5-11(7)15)13(16)10-6-12(14)17-8(10)2/h3-6,13,16H,1-2H3
InChIKeyYVLTUCBLZGEOLH-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.86
Rot. Bonds2

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

(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol (PubChem CID 107098892) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
PubChem CID107098892
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1sc(Br)cc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H12BrClOS/c1-7-9(4-3-5-11(7)15)13(16)10-6-12(14)17-8(10)2/h3-6,13,16H,1-2H3
InChIKeyYVLTUCBLZGEOLH-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

(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964308
N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096564
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol (CID 107098892) is (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol is Cc1sc(Br)cc1C(O)c1cccc(Cl)c1C.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The InChIKey is YVLTUCBLZGEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c1-7-9(4-3-5-11(7)15)13(16)10-6-12(14)17-8(10)2/h3-6,13,16H,1-2H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-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 (5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 107098892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).