7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one

C19H15N3O4 — CID 122192674

IUPAC7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESCOc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
InChIInChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
InChIKeyGMEVNZGJRMYVKL-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.96
Rot. Bonds5

About 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one

7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one (PubChem CID 122192674) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one
PubChem CID122192674
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESCOc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
InChIInChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
InChIKeyGMEVNZGJRMYVKL-UHFFFAOYSA-N
XLogP2.96
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
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

CID 86719933
CID 86719933
CID 88314331
CID 88314331
CID 88314336
CID 88314336
CID 73053616
CID 73053616
CID 76314297
CID 76314297
CID 122192671
CID 122192671
CID 122192672
CID 122192672
CID 122192673
CID 122192673
CID 122192675
CID 122192675
CID 122192676
CID 122192676
CID 122192677
CID 122192677
CID 122192678
CID 122192678

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one (CID 122192674) is 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one is COc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1.
What is the InChIKey of 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
The InChIKey is GMEVNZGJRMYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3.
What are the key properties of 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one?
7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one has a molecular weight of 349.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one is sourced from PubChem (CID 122192674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).