5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde

C12H10O3S — CID 16768819

IUPAC5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
SMILESCOc1cc(-c2cccs2)c(C=O)cc1O
InChIInChI=1S/C12H10O3S/c1-15-11-6-9(12-3-2-4-16-12)8(7-13)5-10(11)14/h2-7,14H,1H3
InChIKeyFZFYSYXGTPZAEK-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.94
Rot. Bonds3

About 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde

5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde (PubChem CID 16768819) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
PubChem CID16768819
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
SMILESCOc1cc(-c2cccs2)c(C=O)cc1O
InChIInChI=1S/C12H10O3S/c1-15-11-6-9(12-3-2-4-16-12)8(7-13)5-10(11)14/h2-7,14H,1H3
InChIKeyFZFYSYXGTPZAEK-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.94
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

4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
CID 16768660
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-[3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 72523989
5-[(E)-3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 59125674
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
2-methoxy-5-methyl-4-thiophen-2-ylaniline
CID 90752833
3-[(4,5-dimethoxy-2-thiophen-2-ylphenyl)methylidene]-1H-indol-2-one
CID 54352801
2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde?
The IUPAC name of 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde (CID 16768819) is 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde is COc1cc(-c2cccs2)c(C=O)cc1O.
What is the InChIKey of 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde?
The InChIKey is FZFYSYXGTPZAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-15-11-6-9(12-3-2-4-16-12)8(7-13)5-10(11)14/h2-7,14H,1H3.
What are the key properties of 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde?
5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 16768819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).