4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde

C12H10O3S — CID 16768660

IUPAC4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cccs2)c1O
InChIInChI=1S/C12H10O3S/c1-15-10-6-8(7-13)5-9(12(10)14)11-3-2-4-16-11/h2-7,14H,1H3
InChIKeyYCHASCJGKKGDSZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.94
Rot. Bonds3

About 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde

4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde (PubChem CID 16768660) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
PubChem CID16768660
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cccs2)c1O
InChIInChI=1S/C12H10O3S/c1-15-10-6-8(7-13)5-9(12(10)14)11-3-2-4-16-11/h2-7,14H,1H3
InChIKeyYCHASCJGKKGDSZ-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'}

Analyze 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
CID 16768819
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
3-[3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid
CID 162923726
5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
3-[5-[(E)-2-[2-[4-[(E)-2-[3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxybenzaldehyde
CID 135670472
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene
CID 134812992
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxoprop-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enal
CID 14302930
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde?
The IUPAC name of 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde (CID 16768660) is 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde is COc1cc(C=O)cc(-c2cccs2)c1O.
What is the InChIKey of 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde?
The InChIKey is YCHASCJGKKGDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-15-10-6-8(7-13)5-9(12(10)14)11-3-2-4-16-11/h2-7,14H,1H3.
What are the key properties of 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde?
4-hydroxy-3-methoxy-5-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 4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 16768660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).