6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one

C18H18O6 — CID 163040061

IUPAC6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one
SMILESCCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O
InChIInChI=1S/C18H18O6/c1-2-3-9-4-13(21)18-12(5-10(19)6-14(18)22)17(9)15-7-11(20)8-16(23)24-15/h4,7-8,10,19-21H,2-3,5-6H2,1H3/t10-/m1/s1
InChIKeyIJTJWRLJKDGQIG-SNVBAGLBSA-N
MW330.34 g/mol
LogP2.16
Rot. Bonds3

About 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one

6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one (PubChem CID 163040061) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one
PubChem CID163040061
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one
SMILESCCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O
InChIInChI=1S/C18H18O6/c1-2-3-9-4-13(21)18-12(5-10(19)6-14(18)22)17(9)15-7-11(20)8-16(23)24-15/h4,7-8,10,19-21H,2-3,5-6H2,1H3/t10-/m1/s1
InChIKeyIJTJWRLJKDGQIG-SNVBAGLBSA-N
XLogP2.16
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one (CID 163040061) is 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one is CCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O.
What is the InChIKey of 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one?
The InChIKey is IJTJWRLJKDGQIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18O6/c1-2-3-9-4-13(21)18-12(5-10(19)6-14(18)22)17(9)15-7-11(20)8-16(23)24-15/h4,7-8,10,19-21H,2-3,5-6H2,1H3/t10-/m1/s1.
What are the key properties of 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one?
6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one has a molecular weight of 330.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7R)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one is sourced from PubChem (CID 163040061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).