6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde

C10H8O3S — CID 131145492

IUPAC6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1csc2c(C=O)c(O)ccc12
InChIInChI=1S/C10H8O3S/c1-13-9-5-14-10-6(9)2-3-8(12)7(10)4-11/h2-5,12H,1H3
InChIKeyMUINQNSPVKCABD-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.43
Rot. Bonds2

About 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde

6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde (PubChem CID 131145492) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde
PubChem CID131145492
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1csc2c(C=O)c(O)ccc12
InChIInChI=1S/C10H8O3S/c1-13-9-5-14-10-6(9)2-3-8(12)7(10)4-11/h2-5,12H,1H3
InChIKeyMUINQNSPVKCABD-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-5-methoxy-1-benzothiophene-4-carbaldehyde
CID 130913403
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
4-methoxy-1-benzothiophen-7-ol
CID 119095255
6-iodo-3-methoxy-1-benzothiophene-7-thiol
CID 130839599
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
3-amino-7-methoxy-1-benzothiophen-6-ol
CID 130821156
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130914822
7-(chloromethyl)-3-methoxy-1-benzothiophene-6-thiol
CID 131146664

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde (CID 131145492) is 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde is COc1csc2c(C=O)c(O)ccc12.
What is the InChIKey of 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is MUINQNSPVKCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-13-9-5-14-10-6(9)2-3-8(12)7(10)4-11/h2-5,12H,1H3.
What are the key properties of 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde?
6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde has a molecular weight of 208.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131145492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).