6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde

C15H10O3S — CID 10516182

IUPAC6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIInChI=1S/C15H10O3S/c16-8-13-12-6-5-11(18)7-14(12)19-15(13)9-1-3-10(17)4-2-9/h1-8,17-18H
InChIKeyBDSIPMZGHRTANV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.79
Rot. Bonds2

About 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde

6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde (PubChem CID 10516182) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde
PubChem CID10516182
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIInChI=1S/C15H10O3S/c16-8-13-12-6-5-11(18)7-14(12)19-15(13)9-1-3-10(17)4-2-9/h1-8,17-18H
InChIKeyBDSIPMZGHRTANV-UHFFFAOYSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde (CID 10516182) is 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde is O=Cc1c(-c2ccc(O)cc2)sc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde?
The InChIKey is BDSIPMZGHRTANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c16-8-13-12-6-5-11(18)7-14(12)19-15(13)9-1-3-10(17)4-2-9/h1-8,17-18H.
What are the key properties of 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde?
6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde has a molecular weight of 270.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 10516182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).