2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol

C17H18OS — CID 105091980

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2Cc3ccccc3S2)c1C
InChIInChI=1S/C17H18OS/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-9,16-18H,10H2,1-2H3
InChIKeyUSRKGAUQQBZFDE-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.05
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol

2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol (PubChem CID 105091980) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
PubChem CID105091980
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2Cc3ccccc3S2)c1C
InChIInChI=1S/C17H18OS/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-9,16-18H,10H2,1-2H3
InChIKeyUSRKGAUQQBZFDE-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79421193
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
CID 105095159
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 105121436
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105128412

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol (CID 105091980) is 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)C2Cc3ccccc3S2)c1C.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol?
The InChIKey is USRKGAUQQBZFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-9,16-18H,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol has a molecular weight of 270.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 105091980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).