2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one

C20H18N4O3 — CID 21325063

IUPAC2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one
SMILESCCC(C)Oc1ccccc1-c1cc(=O)c2cc(-c3nn[nH]n3)ccc2o1
InChIInChI=1S/C20H18N4O3/c1-3-12(2)26-17-7-5-4-6-14(17)19-11-16(25)15-10-13(8-9-18(15)27-19)20-21-23-24-22-20/h4-12H,3H2,1-2H3,(H,21,22,23,24)
InChIKeyFGFAYIZFAFCGKH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one

2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one (PubChem CID 21325063) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one
PubChem CID21325063
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one
SMILESCCC(C)Oc1ccccc1-c1cc(=O)c2cc(-c3nn[nH]n3)ccc2o1
InChIInChI=1S/C20H18N4O3/c1-3-12(2)26-17-7-5-4-6-14(17)19-11-16(25)15-10-13(8-9-18(15)27-19)20-21-23-24-22-20/h4-12H,3H2,1-2H3,(H,21,22,23,24)
InChIKeyFGFAYIZFAFCGKH-UHFFFAOYSA-N
XLogP3.82
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492
2-(2-butan-2-yloxyphenyl)-4-oxochromene-7-carboxylic acid
CID 21325094
2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135840381
N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide
CID 23735340
4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile
CID 21325038
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
2-ethoxy-6-(2H-tetrazol-5-yl)xanthen-1-one
CID 53424554
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
1-(2H-tetrazol-5-yl)xanthen-9-one
CID 154341759
2-ethylsulfanyl-6-(2H-tetrazol-5-yl)xanthen-9-one
CID 19865563

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one (CID 21325063) is 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one is CCC(C)Oc1ccccc1-c1cc(=O)c2cc(-c3nn[nH]n3)ccc2o1.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one?
The InChIKey is FGFAYIZFAFCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-12(2)26-17-7-5-4-6-14(17)19-11-16(25)15-10-13(8-9-18(15)27-19)20-21-23-24-22-20/h4-12H,3H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one?
2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-6-(2H-tetrazol-5-yl)chromen-4-one is sourced from PubChem (CID 21325063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).