2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone

C18H13N3O3 — CID 3455013

IUPAC2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
SMILESO=C(c1ccco1)C(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H13N3O3/c22-17(16-11-6-12-23-16)18(24-13-7-2-1-3-8-13)21-15-10-5-4-9-14(15)19-20-21/h1-12,18H
InChIKeyNFLCMSHMGZALSN-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.48
Rot. Bonds5

About 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone

2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone (PubChem CID 3455013) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
PubChem CID3455013
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
SMILESO=C(c1ccco1)C(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H13N3O3/c22-17(16-11-6-12-23-16)18(24-13-7-2-1-3-8-13)21-15-10-5-4-9-14(15)19-20-21/h1-12,18H
InChIKeyNFLCMSHMGZALSN-UHFFFAOYSA-N
XLogP3.48
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol
CID 4264051
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
2-(benzotriazol-1-yl)-2-(phenoxycarbonylamino)acetic acid
CID 18628958
N-[[2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenoxyethylidene]amino]-4-methylbenzenesulfonamide
CID 4519325
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
1-(1-phenoxyhexyl)benzotriazole
CID 3453762
1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine
CID 135050316
2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 5050404
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119304

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone (CID 3455013) is 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone is O=C(c1ccco1)C(Oc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone?
The InChIKey is NFLCMSHMGZALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17(16-11-6-12-23-16)18(24-13-7-2-1-3-8-13)21-15-10-5-4-9-14(15)19-20-21/h1-12,18H.
What are the key properties of 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone?
2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone has a molecular weight of 319.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone is sourced from PubChem (CID 3455013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).