2-hydroxy-5-thiophen-2-ylbenzaldehyde

C11H8O2S — CID 828499

IUPAC2-hydroxy-5-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccs2)ccc1O
InChIInChI=1S/C11H8O2S/c12-7-9-6-8(3-4-10(9)13)11-2-1-5-14-11/h1-7,13H
InChIKeyJDXKZIUDWWNBDM-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.93
Rot. Bonds2

About 2-hydroxy-5-thiophen-2-ylbenzaldehyde

2-hydroxy-5-thiophen-2-ylbenzaldehyde (PubChem CID 828499) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-hydroxy-5-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-thiophen-2-ylbenzaldehyde
PubChem CID828499
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name2-hydroxy-5-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccs2)ccc1O
InChIInChI=1S/C11H8O2S/c12-7-9-6-8(3-4-10(9)13)11-2-1-5-14-11/h1-7,13H
InChIKeyJDXKZIUDWWNBDM-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Prifelone
CID 71751
(4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-methanone
CID 14771930
(2-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840061
[5-(4-Hydroxy-3-methylphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840134
[5-(3-Ethyl-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840200
5W-0275
CID 5355846
3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
CID 5761068
(E)-1-(2,5-dihydroxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 10243642
1-[2-Hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethan-1-one
CID 10978965
2-Hydroxy-5-(3-thienyl)benzoic acid
CID 4128464
3-(4-Hydroxy-3,5-dimethyl-phenyl)-1-thiophen-2-yl-propenone
CID 14771932
1-(4-Hydroxy-3,5-dimethyl-phenyl)-3-thiophen-2-yl-propenone
CID 14771933

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-5-thiophen-2-ylbenzaldehyde (CID 828499) is 2-hydroxy-5-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-5-thiophen-2-ylbenzaldehyde is O=Cc1cc(-c2cccs2)ccc1O.
What is the InChIKey of 2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The InChIKey is JDXKZIUDWWNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-7-9-6-8(3-4-10(9)13)11-2-1-5-14-11/h1-7,13H.
What are the key properties of 2-hydroxy-5-thiophen-2-ylbenzaldehyde?
2-hydroxy-5-thiophen-2-ylbenzaldehyde has a molecular weight of 204.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 828499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).