2-(5-methoxythiophene-2-carbonyl)benzoic acid

C13H10O4S — CID 11777477

IUPAC2-(5-methoxythiophene-2-carbonyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)O)s1
InChIInChI=1S/C13H10O4S/c1-17-11-7-6-10(18-11)12(14)8-4-2-3-5-9(8)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyINEBNTHFFRTWON-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.69
Rot. Bonds4

About 2-(5-methoxythiophene-2-carbonyl)benzoic acid

2-(5-methoxythiophene-2-carbonyl)benzoic acid (PubChem CID 11777477) has the molecular formula C13H10O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(5-methoxythiophene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(5-methoxythiophene-2-carbonyl)benzoic acid
PubChem CID11777477
Molecular FormulaC13H10O4S
Molecular Weight262.29 g/mol
Exact Mass262.03
IUPAC Name2-(5-methoxythiophene-2-carbonyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)O)s1
InChIInChI=1S/C13H10O4S/c1-17-11-7-6-10(18-11)12(14)8-4-2-3-5-9(8)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyINEBNTHFFRTWON-UHFFFAOYSA-N
XLogP2.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone
CID 130587599
(5-methoxythiophen-2-yl)-thiophen-2-ylmethanone;thiophene
CID 173279551
CID 174469049
CID 174469049
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
dilithium;hydride;phthalic acid
CID 173011412
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxythiophene-2-carbonyl)benzoic acid?
The IUPAC name of 2-(5-methoxythiophene-2-carbonyl)benzoic acid (CID 11777477) is 2-(5-methoxythiophene-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(5-methoxythiophene-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(5-methoxythiophene-2-carbonyl)benzoic acid is COc1ccc(C(=O)c2ccccc2C(=O)O)s1.
What is the InChIKey of 2-(5-methoxythiophene-2-carbonyl)benzoic acid?
The InChIKey is INEBNTHFFRTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4S/c1-17-11-7-6-10(18-11)12(14)8-4-2-3-5-9(8)13(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(5-methoxythiophene-2-carbonyl)benzoic acid?
2-(5-methoxythiophene-2-carbonyl)benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxythiophene-2-carbonyl)benzoic acid is sourced from PubChem (CID 11777477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).