4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one

C30H23NO5 — CID 57396283

IUPAC4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N/c2ccc(O)cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H23NO5/c32-25-13-11-24(12-14-25)31-18-23-15-29(33)36-28-17-26(34-19-21-7-3-1-4-8-21)16-27(30(23)28)35-20-22-9-5-2-6-10-22/h1-18,32H,19-20H2/b31-18+
InChIKeyFIYTTXUIFCPSER-FDAWAROLSA-N
MW477.52 g/mol
LogP6.41
Rot. Bonds8

About 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one

4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one (PubChem CID 57396283) has the molecular formula C30H23NO5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
PubChem CID57396283
Molecular FormulaC30H23NO5
Molecular Weight477.52 g/mol
Exact Mass477.16
IUPAC Name4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N/c2ccc(O)cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H23NO5/c32-25-13-11-24(12-14-25)31-18-23-15-29(33)36-28-17-26(34-19-21-7-3-1-4-8-21)16-27(30(23)28)35-20-22-9-5-2-6-10-22/h1-18,32H,19-20H2/b31-18+
InChIKeyFIYTTXUIFCPSER-FDAWAROLSA-N
XLogP6.41
TPSA81.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The IUPAC name of 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one (CID 57396283) is 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one is O=c1cc(/C=N/c2ccc(O)cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The InChIKey is FIYTTXUIFCPSER-FDAWAROLSA-N. The full InChI is InChI=1S/C30H23NO5/c32-25-13-11-24(12-14-25)31-18-23-15-29(33)36-28-17-26(34-19-21-7-3-1-4-8-21)16-27(30(23)28)35-20-22-9-5-2-6-10-22/h1-18,32H,19-20H2/b31-18+.
What are the key properties of 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one has a molecular weight of 477.52 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one is sourced from PubChem (CID 57396283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).