[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate

C15H20O5 — CID 118584224

IUPAC[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@@H]1COCC[C@H]1O
InChIInChI=1S/C15H20O5/c1-18-13-5-3-2-4-11(13)6-7-15(17)20-14-10-19-9-8-12(14)16/h2-5,12,14,16H,6-10H2,1H3/t12-,14-/m1/s1
InChIKeyZOVROHXTLYLSOJ-TZMCWYRMSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds5

About [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate

[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate (PubChem CID 118584224) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate
PubChem CID118584224
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@@H]1COCC[C@H]1O
InChIInChI=1S/C15H20O5/c1-18-13-5-3-2-4-11(13)6-7-15(17)20-14-10-19-9-8-12(14)16/h2-5,12,14,16H,6-10H2,1H3/t12-,14-/m1/s1
InChIKeyZOVROHXTLYLSOJ-TZMCWYRMSA-N
XLogP1.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate with MolForge

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Related Compounds

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
[(3R)-4-hydroxyoxan-3-yl] benzoate
CID 155182025
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
(2S)-2-amino-3-[hydroxy-[(3R,4R)-3-[3-(2-undecoxyphenyl)propanoyloxy]oxan-4-yl]oxyphosphoryl]oxypropanoic acid
CID 78319667
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124862992
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate (CID 118584224) is [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)O[C@@H]1COCC[C@H]1O.
What is the InChIKey of [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is ZOVROHXTLYLSOJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-13-5-3-2-4-11(13)6-7-15(17)20-14-10-19-9-8-12(14)16/h2-5,12,14,16H,6-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate?
[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 118584224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).