4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one

C19H17NO3 — CID 135485021

IUPAC4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one
SMILESCC(C)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO3/c1-12(2)13-7-9-14(10-8-13)20-11-16-18(21)15-5-3-4-6-17(15)23-19(16)22/h3-12,21H,1-2H3/b20-11+
InChIKeyJUDQYDLFAXADFA-RGVLZGJSSA-N
MW307.35 g/mol
LogP4.37
Rot. Bonds3

About 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one

4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one (PubChem CID 135485021) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one
PubChem CID135485021
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one
SMILESCC(C)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO3/c1-12(2)13-7-9-14(10-8-13)20-11-16-18(21)15-5-3-4-6-17(15)23-19(16)22/h3-12,21H,1-2H3/b20-11+
InChIKeyJUDQYDLFAXADFA-RGVLZGJSSA-N
XLogP4.37
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one (CID 135485021) is 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one is CC(C)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one?
The InChIKey is JUDQYDLFAXADFA-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12(2)13-7-9-14(10-8-13)20-11-16-18(21)15-5-3-4-6-17(15)23-19(16)22/h3-12,21H,1-2H3/b20-11+.
What are the key properties of 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one?
4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one has a molecular weight of 307.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-propan-2-ylphenyl)iminomethyl]chromen-2-one is sourced from PubChem (CID 135485021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).