2-benzofuran-1-olate

C8H5O2- — CID 138971921

IUPAC2-benzofuran-1-olate
SMILES[O-]c1occ2ccccc12
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H/p-1
InChIKeyUEZZSMIMSIMADV-UHFFFAOYSA-M
MW133.13 g/mol
LogP1.51
Rot. Bonds

About 2-benzofuran-1-olate

2-benzofuran-1-olate (PubChem CID 138971921) has the molecular formula C8H5O2- and a molecular weight of 133.13 g/mol. Its IUPAC name is 2-benzofuran-1-olate.

Molecular Properties

Compound Name2-benzofuran-1-olate
PubChem CID138971921
Molecular FormulaC8H5O2-
Molecular Weight133.13 g/mol
Exact Mass133.03
IUPAC Name2-benzofuran-1-olate
SMILES[O-]c1occ2ccccc12
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H/p-1
InChIKeyUEZZSMIMSIMADV-UHFFFAOYSA-M
XLogP1.51
TPSA36.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzofuran
CID 9223
methyl (2E)-3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479262
2-(2-furyl)benzoic Acid
CID 2772293
3-Methylbenzofuran
CID 88939
3-Phenylfuran
CID 518802
3-Benzofurancarboxylic acid, methyl ester
CID 12777099
2-(Furan-2-yl)benzaldehyde
CID 2772294
4-Methylbenzofuran
CID 33104
Ethyl 1-benzofuran-3-carboxylate
CID 13024731
1-Benzofuran-4-carboxylic acid
CID 22324117
Isobenzofuran
CID 11378474
5-Phenyl-2-methoxyfurane
CID 12216650

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1-olate?
The IUPAC name of 2-benzofuran-1-olate (CID 138971921) is 2-benzofuran-1-olate.
What is the SMILES notation for 2-benzofuran-1-olate?
The canonical SMILES for 2-benzofuran-1-olate is [O-]c1occ2ccccc12.
What is the InChIKey of 2-benzofuran-1-olate?
The InChIKey is UEZZSMIMSIMADV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H/p-1.
What are the key properties of 2-benzofuran-1-olate?
2-benzofuran-1-olate has a molecular weight of 133.13 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1-olate is sourced from PubChem (CID 138971921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).