[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C20H16N4O3 — CID 18207272

IUPAC[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)Oc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N4O3/c25-20(27-17-6-4-16(5-7-17)24-12-21-22-23-24)10-15-11-26-19-9-14-3-1-2-13(14)8-18(15)19/h4-9,11-12H,1-3,10H2
InChIKeyQVAFWFKFUGJVCS-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.05
Rot. Bonds4

About [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 18207272) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
PubChem CID18207272
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)Oc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N4O3/c25-20(27-17-6-4-16(5-7-17)24-12-21-22-23-24)10-15-11-26-19-9-14-3-1-2-13(14)8-18(15)19/h4-9,11-12H,1-3,10H2
InChIKeyQVAFWFKFUGJVCS-UHFFFAOYSA-N
XLogP3.05
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7758660
(2-methylphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18268972
4-[[3-(tetrazol-1-yl)phenoxy]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7768759
[4-(tetrazol-1-yl)phenyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 55341048
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 2403819
[4-(tetrazol-1-yl)phenyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 39948632
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 60532623
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 29248969
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide
CID 167959394

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 18207272) is [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is O=C(Cc1coc2cc3c(cc12)CCC3)Oc1ccc(-n2cnnn2)cc1.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The InChIKey is QVAFWFKFUGJVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20(27-17-6-4-16(5-7-17)24-12-21-22-23-24)10-15-11-26-19-9-14-3-1-2-13(14)8-18(15)19/h4-9,11-12H,1-3,10H2.
What are the key properties of [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 18207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).