5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid

C16H10O4S — CID 59599769

IUPAC5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)O)s3)ccc12
InChIInChI=1S/C16H10O4S/c17-8-12-11-3-1-10(7-9(11)2-4-13(12)18)14-5-6-15(21-14)16(19)20/h1-8,18H,(H,19,20)
InChIKeyQFBFAROCCDWYKC-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.78
Rot. Bonds3

About 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid

5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid (PubChem CID 59599769) has the molecular formula C16H10O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid
PubChem CID59599769
Molecular FormulaC16H10O4S
Molecular Weight298.32 g/mol
Exact Mass298.03
IUPAC Name5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)O)s3)ccc12
InChIInChI=1S/C16H10O4S/c17-8-12-11-3-1-10(7-9(11)2-4-13(12)18)14-5-6-15(21-14)16(19)20/h1-8,18H,(H,19,20)
InChIKeyQFBFAROCCDWYKC-UHFFFAOYSA-N
XLogP3.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid (CID 59599769) is 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid is O=Cc1c(O)ccc2cc(-c3ccc(C(=O)O)s3)ccc12.
What is the InChIKey of 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid?
The InChIKey is QFBFAROCCDWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4S/c17-8-12-11-3-1-10(7-9(11)2-4-13(12)18)14-5-6-15(21-14)16(19)20/h1-8,18H,(H,19,20).
What are the key properties of 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid?
5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formyl-6-hydroxynaphthalen-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 59599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).