5-(diphenoxymethyl)-1-benzofuran

C21H16O3 — CID 140773853

IUPAC5-(diphenoxymethyl)-1-benzofuran
SMILESc1ccc(OC(Oc2ccccc2)c2ccc3occc3c2)cc1
InChIInChI=1S/C21H16O3/c1-3-7-18(8-4-1)23-21(24-19-9-5-2-6-10-19)17-11-12-20-16(15-17)13-14-22-20/h1-15,21H
InChIKeyKJBBFBNSDADQFH-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.59
Rot. Bonds5

About 5-(diphenoxymethyl)-1-benzofuran

5-(diphenoxymethyl)-1-benzofuran (PubChem CID 140773853) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(diphenoxymethyl)-1-benzofuran.

Molecular Properties

Compound Name5-(diphenoxymethyl)-1-benzofuran
PubChem CID140773853
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name5-(diphenoxymethyl)-1-benzofuran
SMILESc1ccc(OC(Oc2ccccc2)c2ccc3occc3c2)cc1
InChIInChI=1S/C21H16O3/c1-3-7-18(8-4-1)23-21(24-19-9-5-2-6-10-19)17-11-12-20-16(15-17)13-14-22-20/h1-15,21H
InChIKeyKJBBFBNSDADQFH-UHFFFAOYSA-N
XLogP5.59
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(dimethoxymethyl)-1-benzofuran
CID 11816358
2-(1-benzofuran-5-yl)-2-hydroxyacetic acid
CID 82403049
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601
1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 112709888
benzene;1-benzofuran;methane
CID 161455380
1-(1-benzofuran-5-yl)-3-bromopropane-1,2-diol
CID 171860132
4-[fluoro(phenoxy)methyl]-1-benzofuran
CID 174705409
methane;5-methoxy-1-benzofuran
CID 160759261
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252
2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
CID 83821795
2-(1-benzofuran-5-yl)-2-phenoxypropanamide
CID 67174102
1-benzofuran-5-ol
CID 11651159

Frequently Asked Questions

What is the IUPAC name of 5-(diphenoxymethyl)-1-benzofuran?
The IUPAC name of 5-(diphenoxymethyl)-1-benzofuran (CID 140773853) is 5-(diphenoxymethyl)-1-benzofuran.
What is the SMILES notation for 5-(diphenoxymethyl)-1-benzofuran?
The canonical SMILES for 5-(diphenoxymethyl)-1-benzofuran is c1ccc(OC(Oc2ccccc2)c2ccc3occc3c2)cc1.
What is the InChIKey of 5-(diphenoxymethyl)-1-benzofuran?
The InChIKey is KJBBFBNSDADQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-3-7-18(8-4-1)23-21(24-19-9-5-2-6-10-19)17-11-12-20-16(15-17)13-14-22-20/h1-15,21H.
What are the key properties of 5-(diphenoxymethyl)-1-benzofuran?
5-(diphenoxymethyl)-1-benzofuran has a molecular weight of 316.36 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diphenoxymethyl)-1-benzofuran is sourced from PubChem (CID 140773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).