3-tritio-1-benzofuran

C8H6O — CID 140580560

IUPAC3-tritio-1-benzofuran
SMILES[3H]c1coc2ccccc12
InChIInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H/i5T
InChIKeyIANQTJSKSUMEQM-XHHURNKPSA-N
MW120.14 g/mol
LogP2.43
Rot. Bonds

About 3-tritio-1-benzofuran

3-tritio-1-benzofuran (PubChem CID 140580560) has the molecular formula C8H6O and a molecular weight of 120.14 g/mol. Its IUPAC name is 3-tritio-1-benzofuran.

Molecular Properties

Compound Name3-tritio-1-benzofuran
PubChem CID140580560
Molecular FormulaC8H6O
Molecular Weight120.14 g/mol
Exact Mass120.05
IUPAC Name3-tritio-1-benzofuran
SMILES[3H]c1coc2ccccc12
InChIInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H/i5T
InChIKeyIANQTJSKSUMEQM-XHHURNKPSA-N
XLogP2.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1-benzofuran;methane
CID 161455380
1-benzofuran;carbon monoxide;chromium
CID 134899025
1-benzofuran;toluene
CID 162139528
1-benzofuran;piperazine
CID 68691578
1-benzofuran;bromobenzene
CID 160964237
1-benzofuran;2-benzothiophene
CID 158166060
1-benzofuran;sulfamic acid
CID 70525210
1-benzofuran;oxaldehydic acid
CID 20511979
1-benzofuran;1-chloro-4-phenylbenzene
CID 175596576
bis(1-benzofuran);naphthalen-1-ol
CID 175560201
1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21488052
1-benzofuran;1H-indazole
CID 121363040

Frequently Asked Questions

What is the IUPAC name of 3-tritio-1-benzofuran?
The IUPAC name of 3-tritio-1-benzofuran (CID 140580560) is 3-tritio-1-benzofuran.
What is the SMILES notation for 3-tritio-1-benzofuran?
The canonical SMILES for 3-tritio-1-benzofuran is [3H]c1coc2ccccc12.
What is the InChIKey of 3-tritio-1-benzofuran?
The InChIKey is IANQTJSKSUMEQM-XHHURNKPSA-N. The full InChI is InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H/i5T.
What are the key properties of 3-tritio-1-benzofuran?
3-tritio-1-benzofuran has a molecular weight of 120.14 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritio-1-benzofuran is sourced from PubChem (CID 140580560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).