6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one

C22H16O5 — CID 139590208

IUPAC6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one
SMILESCOc1cc(-c2c(-c3ccccc3)cc(O)c3c(O)cccc23)oc(=O)c1
InChIInChI=1S/C22H16O5/c1-26-14-10-19(27-20(25)11-14)21-15-8-5-9-17(23)22(15)18(24)12-16(21)13-6-3-2-4-7-13/h2-12,23-24H,1H3
InChIKeyQQSGEWCGGZNFHC-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.55
Rot. Bonds3

About 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one

6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one (PubChem CID 139590208) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one
PubChem CID139590208
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one
SMILESCOc1cc(-c2c(-c3ccccc3)cc(O)c3c(O)cccc23)oc(=O)c1
InChIInChI=1S/C22H16O5/c1-26-14-10-19(27-20(25)11-14)21-15-8-5-9-17(23)22(15)18(24)12-16(21)13-6-3-2-4-7-13/h2-12,23-24H,1H3
InChIKeyQQSGEWCGGZNFHC-UHFFFAOYSA-N
XLogP4.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one?
The IUPAC name of 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one (CID 139590208) is 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one.
What is the SMILES notation for 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one?
The canonical SMILES for 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one is COc1cc(-c2c(-c3ccccc3)cc(O)c3c(O)cccc23)oc(=O)c1.
What is the InChIKey of 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one?
The InChIKey is QQSGEWCGGZNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O5/c1-26-14-10-19(27-20(25)11-14)21-15-8-5-9-17(23)22(15)18(24)12-16(21)13-6-3-2-4-7-13/h2-12,23-24H,1H3.
What are the key properties of 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one?
6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one has a molecular weight of 360.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-methoxypyran-2-one is sourced from PubChem (CID 139590208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).