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

C14H15BrO2S — CID 65278221

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2sc(C)cc2Br)ccc1C
InChIInChI=1S/C14H15BrO2S/c1-8-4-5-10(7-12(8)17-3)13(16)14-11(15)6-9(2)18-14/h4-7,13,16H,1-3H3
InChIKeyXZZQCYXOZYYGPI-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.22
Rot. Bonds3

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

(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol (PubChem CID 65278221) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
PubChem CID65278221
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2sc(C)cc2Br)ccc1C
InChIInChI=1S/C14H15BrO2S/c1-8-4-5-10(7-12(8)17-3)13(16)14-11(15)6-9(2)18-14/h4-7,13,16H,1-3H3
InChIKeyXZZQCYXOZYYGPI-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)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

(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
3-bromo-2-[chloro-(3,4-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278187
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
3-bromo-5-[bromo-(3-methoxy-4-methylphenyl)methyl]-2-methylthiophene
CID 102835860
1-(3-bromo-5-methylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65279453
(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 65278850
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
N-[(3-bromo-5-methylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 65278362

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol (CID 65278221) is (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol is COc1cc(C(O)c2sc(C)cc2Br)ccc1C.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The InChIKey is XZZQCYXOZYYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-8-4-5-10(7-12(8)17-3)13(16)14-11(15)6-9(2)18-14/h4-7,13,16H,1-3H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol?
(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 65278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).