2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde

C12H10O3S — CID 10537643

IUPAC2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccsc2)cc1O
InChIInChI=1S/C12H10O3S/c13-6-10-1-2-11(5-12(10)14)15-7-9-3-4-16-8-9/h1-6,8,14H,7H2
InChIKeyNUKFXZXDCFHHDA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.85
Rot. Bonds4

About 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde

2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde (PubChem CID 10537643) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
PubChem CID10537643
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccsc2)cc1O
InChIInChI=1S/C12H10O3S/c13-6-10-1-2-11(5-12(10)14)15-7-9-3-4-16-8-9/h1-6,8,14H,7H2
InChIKeyNUKFXZXDCFHHDA-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.85
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-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium
CID 18723919
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
CID 122475730
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
CID 22010465
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
CID 163380011
methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate
CID 68667736
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The IUPAC name of 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde (CID 10537643) is 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde is O=Cc1ccc(OCc2ccsc2)cc1O.
What is the InChIKey of 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The InChIKey is NUKFXZXDCFHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-6-10-1-2-11(5-12(10)14)15-7-9-3-4-16-8-9/h1-6,8,14H,7H2.
What are the key properties of 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 10537643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).