2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol

C16H13NO2S — CID 661751

IUPAC2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol
SMILESC/C(=N\c1ccc(O)cc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H13NO2S/c1-10(17-11-6-8-12(18)9-7-11)16-15(19)13-4-2-3-5-14(13)20-16/h2-9,18-19H,1H3/b17-10+
InChIKeyYQOVLZRFLVGMEZ-LICLKQGHSA-N
MW283.35 g/mol
LogP4.45
Rot. Bonds2

About 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol

2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol (PubChem CID 661751) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol
PubChem CID661751
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol
SMILESC/C(=N\c1ccc(O)cc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H13NO2S/c1-10(17-11-6-8-12(18)9-7-11)16-15(19)13-4-2-3-5-14(13)20-16/h2-9,18-19H,1H3/b17-10+
InChIKeyYQOVLZRFLVGMEZ-LICLKQGHSA-N
XLogP4.45
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol?
The IUPAC name of 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol (CID 661751) is 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol?
The canonical SMILES for 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol is C/C(=N\c1ccc(O)cc1)c1sc2ccccc2c1O.
What is the InChIKey of 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol?
The InChIKey is YQOVLZRFLVGMEZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10(17-11-6-8-12(18)9-7-11)16-15(19)13-4-2-3-5-14(13)20-16/h2-9,18-19H,1H3/b17-10+.
What are the key properties of 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol?
2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol has a molecular weight of 283.35 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol is sourced from PubChem (CID 661751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).