5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde

C11H7ClO2S — CID 53221262

IUPAC5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(O)cc(Cl)c2)s1
InChIInChI=1S/C11H7ClO2S/c12-8-3-7(4-9(14)5-8)11-2-1-10(6-13)15-11/h1-6,14H
InChIKeyGQAAWMKKDYNTCH-UHFFFAOYSA-N
MW238.70 g/mol
LogP3.59
Rot. Bonds2

About 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde

5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde (PubChem CID 53221262) has the molecular formula C11H7ClO2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde
PubChem CID53221262
Molecular FormulaC11H7ClO2S
Molecular Weight238.70 g/mol
Exact Mass237.99
IUPAC Name5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(O)cc(Cl)c2)s1
InChIInChI=1S/C11H7ClO2S/c12-8-3-7(4-9(14)5-8)11-2-1-10(6-13)15-11/h1-6,14H
InChIKeyGQAAWMKKDYNTCH-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 53.59
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

3-(5-formylthiophen-2-yl)-5-hydroxybenzonitrile
CID 53219924
5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53219351
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-(5-chloro-3-hydroxy-2-pyridinyl)thiophene-2-carbaldehyde
CID 125454377
5-thiophen-3-ylthiophene-2-carbaldehyde
CID 4674816
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde
CID 123472518
5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
CID 53219922
5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
CID 23080398
5-(furan-3-yl)thiophene-2-carbaldehyde
CID 141362876
4-(5-formylthiophen-2-yl)benzamide
CID 87324146

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde (CID 53221262) is 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2cc(O)cc(Cl)c2)s1.
What is the InChIKey of 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is GQAAWMKKDYNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2S/c12-8-3-7(4-9(14)5-8)11-2-1-10(6-13)15-11/h1-6,14H.
What are the key properties of 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde?
5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde has a molecular weight of 238.70 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 53221262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).