3-[(2-hydroxyphenyl)methylamino]chromen-2-one

C16H13NO3 — CID 4122242

IUPAC3-[(2-hydroxyphenyl)methylamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-7-3-1-6-12(14)10-17-13-9-11-5-2-4-8-15(11)20-16(13)19/h1-9,17-18H,10H2
InChIKeyYRPBMYZQRHWGOG-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.11
Rot. Bonds3

About 3-[(2-hydroxyphenyl)methylamino]chromen-2-one

3-[(2-hydroxyphenyl)methylamino]chromen-2-one (PubChem CID 4122242) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]chromen-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]chromen-2-one
PubChem CID4122242
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-[(2-hydroxyphenyl)methylamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-7-3-1-6-12(14)10-17-13-9-11-5-2-4-8-15(11)20-16(13)19/h1-9,17-18H,10H2
InChIKeyYRPBMYZQRHWGOG-UHFFFAOYSA-N
XLogP3.11
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]chromen-2-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]chromen-2-one (CID 4122242) is 3-[(2-hydroxyphenyl)methylamino]chromen-2-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]chromen-2-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]chromen-2-one is O=c1oc2ccccc2cc1NCc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]chromen-2-one?
The InChIKey is YRPBMYZQRHWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-7-3-1-6-12(14)10-17-13-9-11-5-2-4-8-15(11)20-16(13)19/h1-9,17-18H,10H2.
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]chromen-2-one?
3-[(2-hydroxyphenyl)methylamino]chromen-2-one has a molecular weight of 267.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]chromen-2-one is sourced from PubChem (CID 4122242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).