7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one

C18H13N3O4 — CID 122192677

IUPAC7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1
InChIInChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
InChIKeyZSCKAXRHIRDYSA-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.66
Rot. Bonds4

About 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one

7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one (PubChem CID 122192677) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one
PubChem CID122192677
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1
InChIInChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
InChIKeyZSCKAXRHIRDYSA-UHFFFAOYSA-N
XLogP2.66
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.66
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 86719933
CID 86719933
CID 88314331
CID 88314331
CID 88314336
CID 88314336
CID 141753553
CID 141753553
CID 73053616
CID 73053616
CID 76314297
CID 76314297
CID 122192671
CID 122192671
CID 122192672
CID 122192672
CID 122192673
CID 122192673
CID 122192674
CID 122192674
CID 122192675
CID 122192675
CID 122192676
CID 122192676

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one (CID 122192677) is 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one is O=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1.
What is the InChIKey of 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The InChIKey is ZSCKAXRHIRDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2.
What are the key properties of 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one has a molecular weight of 335.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one is sourced from PubChem (CID 122192677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).