4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one

C23H17NO4 — CID 139236981

IUPAC4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
SMILESCOc1ccc(/C=N/c2ccc(Oc3cc(=O)oc4ccccc34)cc2)cc1
InChIInChI=1S/C23H17NO4/c1-26-18-10-6-16(7-11-18)15-24-17-8-12-19(13-9-17)27-22-14-23(25)28-21-5-3-2-4-20(21)22/h2-15H,1H3/b24-15+
InChIKeyFMTYVDFAHJDYBH-BUVRLJJBSA-N
MW371.39 g/mol
LogP5.34
Rot. Bonds5

About 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one

4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one (PubChem CID 139236981) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
PubChem CID139236981
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
SMILESCOc1ccc(/C=N/c2ccc(Oc3cc(=O)oc4ccccc34)cc2)cc1
InChIInChI=1S/C23H17NO4/c1-26-18-10-6-16(7-11-18)15-24-17-8-12-19(13-9-17)27-22-14-23(25)28-21-5-3-2-4-20(21)22/h2-15H,1H3/b24-15+
InChIKeyFMTYVDFAHJDYBH-BUVRLJJBSA-N
XLogP5.34
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one
CID 139236986
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
CID 177479464
3-[(E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]-3-methyliminoprop-1-enyl]-4-morpholin-4-ylchromen-2-one
CID 156600228
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one
CID 134716325
6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
CID 155813745
N-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857580
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one (CID 139236981) is 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one is COc1ccc(/C=N/c2ccc(Oc3cc(=O)oc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one?
The InChIKey is FMTYVDFAHJDYBH-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17NO4/c1-26-18-10-6-16(7-11-18)15-24-17-8-12-19(13-9-17)27-22-14-23(25)28-21-5-3-2-4-20(21)22/h2-15H,1H3/b24-15+.
What are the key properties of 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one?
4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one has a molecular weight of 371.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one is sourced from PubChem (CID 139236981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).