6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one

C16H12O5 — CID 54685140

IUPAC6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one
SMILESCc1cc(O)c2c(O)cccc2c1-c1cc(O)cc(=O)o1
InChIInChI=1S/C16H12O5/c1-8-5-12(19)16-10(3-2-4-11(16)18)15(8)13-6-9(17)7-14(20)21-13/h2-7,17-19H,1H3
InChIKeyBHLYFNZONJFBSR-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.89
Rot. Bonds1

About 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one

6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one (PubChem CID 54685140) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one
PubChem CID54685140
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one
SMILESCc1cc(O)c2c(O)cccc2c1-c1cc(O)cc(=O)o1
InChIInChI=1S/C16H12O5/c1-8-5-12(19)16-10(3-2-4-11(16)18)15(8)13-6-9(17)7-14(20)21-13/h2-7,17-19H,1H3
InChIKeyBHLYFNZONJFBSR-UHFFFAOYSA-N
XLogP2.89
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Toralactone
CID 5321980
Pannorin
CID 54692973
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
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Orlandin
CID 5484238
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxo-2H-chromen-3-yl)methyl]-6,7-dimethyl-2H-chromen-2-one
CID 54736430
6-(4-Hydroxy-2-methoxy-phenyl)-naphthalen-2-ol
CID 10125342
Acrylic acid derivative, 17
CID 23016719
7-(3,5-Dihydroxyphenyl)naphthalene-1,3-diol
CID 44438240
4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
CID 54736423
8-Hydroxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one
CID 12448344
9,10-Dihydro-1-((4-hydroxyphenyl)methyl)-4-methoxy-2,7-phenanthrenediol
CID 11163864
3-[(4-Hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
CID 14630662

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one?
The IUPAC name of 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one (CID 54685140) is 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one.
What is the SMILES notation for 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one?
The canonical SMILES for 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one is Cc1cc(O)c2c(O)cccc2c1-c1cc(O)cc(=O)o1.
What is the InChIKey of 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one?
The InChIKey is BHLYFNZONJFBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-8-5-12(19)16-10(3-2-4-11(16)18)15(8)13-6-9(17)7-14(20)21-13/h2-7,17-19H,1H3.
What are the key properties of 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one?
6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one has a molecular weight of 284.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one is sourced from PubChem (CID 54685140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).