7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide

C18H15NO5 — CID 118708725

IUPAC7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)
InChIKeyXPJSDAVSTGFBKS-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.18
Rot. Bonds4

About 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide

7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 118708725) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID118708725
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)
InChIKeyXPJSDAVSTGFBKS-UHFFFAOYSA-N
XLogP2.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
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 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide (CID 118708725) is 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is XPJSDAVSTGFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22).
What are the key properties of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 118708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).