8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one

C25H19NO5 — CID 169173346

IUPAC8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one
SMILESCOc1ccccc1C(O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1cccnc1
InChIInChI=1S/C25H19NO5/c1-14-12-20(27)31-24-16(14)9-10-19-22(24)21(15-6-5-11-26-13-15)25(30-19)23(28)17-7-3-4-8-18(17)29-2/h3-13,23,28H,1-2H3
InChIKeyWLJPHTYZHDJFOP-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.00
Rot. Bonds4

About 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one

8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one (PubChem CID 169173346) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one
PubChem CID169173346
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one
SMILESCOc1ccccc1C(O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1cccnc1
InChIInChI=1S/C25H19NO5/c1-14-12-20(27)31-24-16(14)9-10-19-22(24)21(15-6-5-11-26-13-15)25(30-19)23(28)17-7-3-4-8-18(17)29-2/h3-13,23,28H,1-2H3
InChIKeyWLJPHTYZHDJFOP-UHFFFAOYSA-N
XLogP5.00
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one (CID 169173346) is 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one is COc1ccccc1C(O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1cccnc1.
What is the InChIKey of 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one?
The InChIKey is WLJPHTYZHDJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c1-14-12-20(27)31-24-16(14)9-10-19-22(24)21(15-6-5-11-26-13-15)25(30-19)23(28)17-7-3-4-8-18(17)29-2/h3-13,23,28H,1-2H3.
What are the key properties of 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one?
8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one has a molecular weight of 413.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 169173346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).