[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C19H22O4 — CID 98108373

IUPAC[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@@H]3CCCCO3)ccc2c1
InChIInChI=1S/C19H22O4/c1-13(19(20)23-18-5-3-4-10-22-18)14-6-7-16-12-17(21-2)9-8-15(16)11-14/h6-9,11-13,18H,3-5,10H2,1-2H3/t13-,18+/m0/s1
InChIKeyUXWUJZRXYXHRIN-SCLBCKFNSA-N
MW314.38 g/mol
LogP4.02
Rot. Bonds4

About [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 98108373) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID98108373
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@@H]3CCCCO3)ccc2c1
InChIInChI=1S/C19H22O4/c1-13(19(20)23-18-5-3-4-10-22-18)14-6-7-16-12-17(21-2)9-8-15(16)11-14/h6-9,11-13,18H,3-5,10H2,1-2H3/t13-,18+/m0/s1
InChIKeyUXWUJZRXYXHRIN-SCLBCKFNSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304
(1R,2R,3S,5S)-4-benzoyl-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 22861818
[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 23277003
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
[4-(1-chloroethoxycarbonyloxy)oxolan-3-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 67445718
(4-cyanophenyl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 84881337
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952003

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 98108373) is [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)O[C@@H]3CCCCO3)ccc2c1.
What is the InChIKey of [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is UXWUJZRXYXHRIN-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H22O4/c1-13(19(20)23-18-5-3-4-10-22-18)14-6-7-16-12-17(21-2)9-8-15(16)11-14/h6-9,11-13,18H,3-5,10H2,1-2H3/t13-,18+/m0/s1.
What are the key properties of [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 314.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 98108373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).