1-benzofuran-3-ol;methane

C9H10O2 — CID 175138306

IUPAC1-benzofuran-3-ol;methane
SMILESC.Oc1coc2ccccc12
InChIInChI=1S/C8H6O2.CH4/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5,9H;1H4
InChIKeyMCELERDESHLPDB-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.77
Rot. Bonds

About 1-benzofuran-3-ol;methane

1-benzofuran-3-ol;methane (PubChem CID 175138306) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-benzofuran-3-ol;methane.

Molecular Properties

Compound Name1-benzofuran-3-ol;methane
PubChem CID175138306
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-benzofuran-3-ol;methane
SMILESC.Oc1coc2ccccc12
InChIInChI=1S/C8H6O2.CH4/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5,9H;1H4
InChIKeyMCELERDESHLPDB-UHFFFAOYSA-N
XLogP2.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;3-hydroxychromen-4-one
CID 175480795
benzo[f][1]benzofuran-3-ol
CID 54429171
[1]benzothiolo[2,3-f][1]benzofuran-1-ol
CID 90693003
1-benzofuran-3-amine
CID 18373424
6-iodo-1-benzofuran-3-ol
CID 123196484
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]chromen-4-one
CID 102368296
N-(1-benzofuran-3-ylsulfanyl)hydroxylamine
CID 137418100
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
3-benzhydryl-1-benzofuran
CID 53493031

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-ol;methane?
The IUPAC name of 1-benzofuran-3-ol;methane (CID 175138306) is 1-benzofuran-3-ol;methane.
What is the SMILES notation for 1-benzofuran-3-ol;methane?
The canonical SMILES for 1-benzofuran-3-ol;methane is C.Oc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-ol;methane?
The InChIKey is MCELERDESHLPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.CH4/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5,9H;1H4.
What are the key properties of 1-benzofuran-3-ol;methane?
1-benzofuran-3-ol;methane has a molecular weight of 150.18 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-ol;methane is sourced from PubChem (CID 175138306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).