4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one

C19H16N4O3 — CID 18202513

IUPAC4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2c(C)c(OCc3nnnn3-c3ccccc3)ccc12
InChIInChI=1S/C19H16N4O3/c1-12-10-18(24)26-19-13(2)16(9-8-15(12)19)25-11-17-20-21-22-23(17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyDYVFPURANPBJOZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.96
Rot. Bonds4

About 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one

4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one (PubChem CID 18202513) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
PubChem CID18202513
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2c(C)c(OCc3nnnn3-c3ccccc3)ccc12
InChIInChI=1S/C19H16N4O3/c1-12-10-18(24)26-19-13(2)16(9-8-15(12)19)25-11-17-20-21-22-23(17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyDYVFPURANPBJOZ-UHFFFAOYSA-N
XLogP2.96
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
7-hydroxy-8-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one
CID 7757090
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
7-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenylchromen-2-one
CID 46933329
8-methyl-7-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-4-phenylchromen-2-one
CID 46933175
5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
CID 24617612
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
3-[(1-phenyltetrazol-5-yl)methoxy]aniline
CID 61035872

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one?
The IUPAC name of 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one (CID 18202513) is 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one.
What is the SMILES notation for 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one?
The canonical SMILES for 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one is Cc1cc(=O)oc2c(C)c(OCc3nnnn3-c3ccccc3)ccc12.
What is the InChIKey of 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one?
The InChIKey is DYVFPURANPBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-10-18(24)26-19-13(2)16(9-8-15(12)19)25-11-17-20-21-22-23(17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one?
4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one has a molecular weight of 348.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one is sourced from PubChem (CID 18202513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).