(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one

C18H18O5 — CID 11045248

IUPAC(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
SMILESO=C1C=CC(O)O[C@H]1[C@H](O)COCc1ccc2ccccc2c1
InChIInChI=1S/C18H18O5/c19-15-7-8-17(21)23-18(15)16(20)11-22-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,16-18,20-21H,10-11H2/t16-,17?,18-/m1/s1
InChIKeyBOVIBLRCPUEJJT-GVYDCBATSA-N
MW314.34 g/mol
LogP1.56
Rot. Bonds5

About (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one

(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one (PubChem CID 11045248) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
PubChem CID11045248
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
SMILESO=C1C=CC(O)O[C@H]1[C@H](O)COCc1ccc2ccccc2c1
InChIInChI=1S/C18H18O5/c19-15-7-8-17(21)23-18(15)16(20)11-22-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,16-18,20-21H,10-11H2/t16-,17?,18-/m1/s1
InChIKeyBOVIBLRCPUEJJT-GVYDCBATSA-N
XLogP1.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one
CID 71524434
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
CID 88891115
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
CID 10979416
(4S)-4-(naphthalen-2-ylmethoxymethyl)-2-phenyl-1,3-dioxan-5-ol
CID 71170081
2-(ethoxymethyl)naphthalene
CID 11063138
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
CID 100966830
4-O-(2,2-dichloroethyl) 1-O-(naphthalen-2-ylmethyl) butanedioate
CID 91717334
2-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 65159178
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 102207627

Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one?
The IUPAC name of (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one (CID 11045248) is (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one.
What is the SMILES notation for (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one?
The canonical SMILES for (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one is O=C1C=CC(O)O[C@H]1[C@H](O)COCc1ccc2ccccc2c1.
What is the InChIKey of (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one?
The InChIKey is BOVIBLRCPUEJJT-GVYDCBATSA-N. The full InChI is InChI=1S/C18H18O5/c19-15-7-8-17(21)23-18(15)16(20)11-22-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,16-18,20-21H,10-11H2/t16-,17?,18-/m1/s1.
What are the key properties of (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one?
(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one has a molecular weight of 314.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one is sourced from PubChem (CID 11045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).