(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol

C16H19BrOS — CID 79996997

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C(O)c2c(C)c(C)cc(C)c2C)sc1Br
InChIInChI=1S/C16H19BrOS/c1-8-6-9(2)12(5)14(11(8)4)15(18)13-7-10(3)16(17)19-13/h6-7,15,18H,1-5H3
InChIKeyIRHUYDCBPBXTGL-UHFFFAOYSA-N
MW339.30 g/mol
LogP5.13
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol

(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol (PubChem CID 79996997) has the molecular formula C16H19BrOS and a molecular weight of 339.30 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
PubChem CID79996997
Molecular FormulaC16H19BrOS
Molecular Weight339.30 g/mol
Exact Mass338.03
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C(O)c2c(C)c(C)cc(C)c2C)sc1Br
InChIInChI=1S/C16H19BrOS/c1-8-6-9(2)12(5)14(11(8)4)15(18)13-7-10(3)16(17)19-13/h6-7,15,18H,1-5H3
InChIKeyIRHUYDCBPBXTGL-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430669
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
CID 115814756
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 79999176
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798611

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol (CID 79996997) is (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol is Cc1cc(C(O)c2c(C)c(C)cc(C)c2C)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is IRHUYDCBPBXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrOS/c1-8-6-9(2)12(5)14(11(8)4)15(18)13-7-10(3)16(17)19-13/h6-7,15,18H,1-5H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 339.30 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 79996997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).