[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol

C17H18O2S — CID 79222757

IUPAC[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC2Cc3ccccc3S2)c(CO)c1
InChIInChI=1S/C17H18O2S/c1-12-6-7-16(14(8-12)10-18)19-11-15-9-13-4-2-3-5-17(13)20-15/h2-8,15,18H,9-11H2,1H3
InChIKeyQSVJARMHSCLVOR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds4

About [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol

[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol (PubChem CID 79222757) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
PubChem CID79222757
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC2Cc3ccccc3S2)c(CO)c1
InChIInChI=1S/C17H18O2S/c1-12-6-7-16(14(8-12)10-18)19-11-15-9-13-4-2-3-5-17(13)20-15/h2-8,15,18H,9-11H2,1H3
InChIKeyQSVJARMHSCLVOR-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol (CID 79222757) is [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol is Cc1ccc(OCC2Cc3ccccc3S2)c(CO)c1.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol?
The InChIKey is QSVJARMHSCLVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-6-7-16(14(8-12)10-18)19-11-15-9-13-4-2-3-5-17(13)20-15/h2-8,15,18H,9-11H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol?
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol has a molecular weight of 286.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol is sourced from PubChem (CID 79222757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).