6,7-dihydro-1-benzofuran-4-carboxylic acid

C9H8O3 — CID 174943247

IUPAC6,7-dihydro-1-benzofuran-4-carboxylic acid
SMILESO=C(O)C1=CCCc2occc21
InChIInChI=1S/C9H8O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h2,4-5H,1,3H2,(H,10,11)
InChIKeyYWHZPGKSOBDYNR-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.69
Rot. Bonds1

About 6,7-dihydro-1-benzofuran-4-carboxylic acid

6,7-dihydro-1-benzofuran-4-carboxylic acid (PubChem CID 174943247) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6,7-dihydro-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-1-benzofuran-4-carboxylic acid
PubChem CID174943247
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name6,7-dihydro-1-benzofuran-4-carboxylic acid
SMILESO=C(O)C1=CCCc2occc21
InChIInChI=1S/C9H8O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h2,4-5H,1,3H2,(H,10,11)
InChIKeyYWHZPGKSOBDYNR-UHFFFAOYSA-N
XLogP1.69
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-5-carboxylate
CID 11310068
5-benzoyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 2950624
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one
CID 19600108
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
CID 116533758
(1E,5E)-5-methyl-9-oxocyclonona-1,5-diene-1-carboxylic acid
CID 78426242
8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid
CID 115466648
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
(6,7-dihydro-5H-1-benzofuran-4-ylideneamino) cyclopropanecarboxylate
CID 1477741

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1-benzofuran-4-carboxylic acid?
The IUPAC name of 6,7-dihydro-1-benzofuran-4-carboxylic acid (CID 174943247) is 6,7-dihydro-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 6,7-dihydro-1-benzofuran-4-carboxylic acid is O=C(O)C1=CCCc2occc21.
What is the InChIKey of 6,7-dihydro-1-benzofuran-4-carboxylic acid?
The InChIKey is YWHZPGKSOBDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h2,4-5H,1,3H2,(H,10,11).
What are the key properties of 6,7-dihydro-1-benzofuran-4-carboxylic acid?
6,7-dihydro-1-benzofuran-4-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 174943247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).