1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol

C18H18O2S — CID 106679584

IUPAC1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-11-8-12(2)17(15(9-11)20-3)18(19)14-10-21-16-7-5-4-6-13(14)16/h4-10,18-19H,1-3H3
InChIKeyMLWFOGIIJBBIFR-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.61
Rot. Bonds3

About 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol

1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679584) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679584
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-11-8-12(2)17(15(9-11)20-3)18(19)14-10-21-16-7-5-4-6-13(14)16/h4-10,18-19H,1-3H3
InChIKeyMLWFOGIIJBBIFR-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
(2-methoxy-4,6-dimethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 106679764
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680190
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679584) is 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is MLWFOGIIJBBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-11-8-12(2)17(15(9-11)20-3)18(19)14-10-21-16-7-5-4-6-13(14)16/h4-10,18-19H,1-3H3.
What are the key properties of 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol has a molecular weight of 298.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).