5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol

C16H16O2S — CID 118119184

IUPAC5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol
SMILESCc1cc2c(c(OCc3ccccc3)c1)C(O)SC2
InChIInChI=1S/C16H16O2S/c1-11-7-13-10-19-16(17)15(13)14(8-11)18-9-12-5-3-2-4-6-12/h2-8,16-17H,9-10H2,1H3
InChIKeyKXADQOCLJKBTSG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.81
Rot. Bonds3

About 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol

5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol (PubChem CID 118119184) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol.

Molecular Properties

Compound Name5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol
PubChem CID118119184
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol
SMILESCc1cc2c(c(OCc3ccccc3)c1)C(O)SC2
InChIInChI=1S/C16H16O2S/c1-11-7-13-10-19-16(17)15(13)14(8-11)18-9-12-5-3-2-4-6-12/h2-8,16-17H,9-10H2,1H3
InChIKeyKXADQOCLJKBTSG-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol?
The IUPAC name of 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol (CID 118119184) is 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol.
What is the SMILES notation for 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol?
The canonical SMILES for 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol is Cc1cc2c(c(OCc3ccccc3)c1)C(O)SC2.
What is the InChIKey of 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol?
The InChIKey is KXADQOCLJKBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-11-7-13-10-19-16(17)15(13)14(8-11)18-9-12-5-3-2-4-6-12/h2-8,16-17H,9-10H2,1H3.
What are the key properties of 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol?
5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol has a molecular weight of 272.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol is sourced from PubChem (CID 118119184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).