4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one

C20H14N4O4 — CID 175172104

IUPAC4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one
SMILESCCOc1ccc(-c2c(-c3nn[nH]n3)c(=O)oc3c2ccc2occc23)cc1
InChIInChI=1S/C20H14N4O4/c1-2-26-12-5-3-11(4-6-12)16-14-7-8-15-13(9-10-27-15)18(14)28-20(25)17(16)19-21-23-24-22-19/h3-10H,2H2,1H3,(H,21,22,23,24)
InChIKeyNFWZFGUTQQYXSX-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.79
Rot. Bonds4

About 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one

4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one (PubChem CID 175172104) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one
PubChem CID175172104
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one
SMILESCCOc1ccc(-c2c(-c3nn[nH]n3)c(=O)oc3c2ccc2occc23)cc1
InChIInChI=1S/C20H14N4O4/c1-2-26-12-5-3-11(4-6-12)16-14-7-8-15-13(9-10-27-15)18(14)28-20(25)17(16)19-21-23-24-22-19/h3-10H,2H2,1H3,(H,21,22,23,24)
InChIKeyNFWZFGUTQQYXSX-UHFFFAOYSA-N
XLogP3.79
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 70372151
CID 70372151
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate
CID 146146539
2-(4-hexoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazole
CID 50936800
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
2-ethoxy-6-(2H-tetrazol-5-yl)xanthen-1-one
CID 53424554
2-ethylsulfanyl-6-(2H-tetrazol-5-yl)xanthen-9-one
CID 19865563
9-(4-ethoxyphenyl)acridine
CID 18966036
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
9-(4-ethoxyphenyl)-2,6,7-trihydroxyxanthen-3-one
CID 2931798
2-propoxy-6-(2H-tetrazol-5-yl)thioxanthen-9-one
CID 10830842
3-(3,5-dimethyl-1-benzofuran-2-yl)-5-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 53011718

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one (CID 175172104) is 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one is CCOc1ccc(-c2c(-c3nn[nH]n3)c(=O)oc3c2ccc2occc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one?
The InChIKey is NFWZFGUTQQYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c1-2-26-12-5-3-11(4-6-12)16-14-7-8-15-13(9-10-27-15)18(14)28-20(25)17(16)19-21-23-24-22-19/h3-10H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one?
4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one has a molecular weight of 374.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 175172104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).