1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol

C18H18OS — CID 115807031

IUPAC1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc3ccccc3s2)cc1C
InChIInChI=1S/C18H18OS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18-19H,1-3H3
InChIKeyXBUNENOBJMHGNM-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.91
Rot. Bonds2

About 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol

1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol (PubChem CID 115807031) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
PubChem CID115807031
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc3ccccc3s2)cc1C
InChIInChI=1S/C18H18OS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18-19H,1-3H3
InChIKeyXBUNENOBJMHGNM-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312893
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63928114
1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol
CID 107477095
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
CID 115796747
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 23600091
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol (CID 115807031) is 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc3ccccc3s2)cc1C.
What is the InChIKey of 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol?
The InChIKey is XBUNENOBJMHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18-19H,1-3H3.
What are the key properties of 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol?
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol has a molecular weight of 282.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 115807031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).