2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide

C18H15NO5 — CID 11947930

IUPAC2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12
InChIInChI=1S/C18H15NO5/c19-17(21)7-12-8-18(22)24-16-9-14(4-5-15(12)16)23-10-11-2-1-3-13(20)6-11/h1-6,8-9,20H,7,10H2,(H2,19,21)
InChIKeyDPWLNJLKZUDWPZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.11
Rot. Bonds5

About 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide

2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide (PubChem CID 11947930) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide
PubChem CID11947930
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12
InChIInChI=1S/C18H15NO5/c19-17(21)7-12-8-18(22)24-16-9-14(4-5-15(12)16)23-10-11-2-1-3-13(20)6-11/h1-6,8-9,20H,7,10H2,(H2,19,21)
InChIKeyDPWLNJLKZUDWPZ-UHFFFAOYSA-N
XLogP2.11
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The IUPAC name of 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide (CID 11947930) is 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide.
What is the SMILES notation for 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The canonical SMILES for 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide is NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12.
What is the InChIKey of 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The InChIKey is DPWLNJLKZUDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c19-17(21)7-12-8-18(22)24-16-9-14(4-5-15(12)16)23-10-11-2-1-3-13(20)6-11/h1-6,8-9,20H,7,10H2,(H2,19,21).
What are the key properties of 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide?
2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-hydroxyphenyl)methoxy]-2-oxochromen-4-yl]acetamide is sourced from PubChem (CID 11947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).