methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate

C13H18O4 — CID 10799944

IUPACmethyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
SMILESCOC(=O)C[C@@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-10(8-13(14)16-3)17-9-11-4-6-12(15-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyYBZJESDHVVGFFY-SNVBAGLBSA-N
MW238.28 g/mol
LogP2.16
Rot. Bonds6

About methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate

methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate (PubChem CID 10799944) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
PubChem CID10799944
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
SMILESCOC(=O)C[C@@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-10(8-13(14)16-3)17-9-11-4-6-12(15-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyYBZJESDHVVGFFY-SNVBAGLBSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
(3R,4S,5R,7S)-3,4-dihydroxy-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-one
CID 10924950
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate?
The IUPAC name of methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate (CID 10799944) is methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate.
What is the SMILES notation for methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate?
The canonical SMILES for methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate is COC(=O)C[C@@H](C)OCc1ccc(OC)cc1.
What is the InChIKey of methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate?
The InChIKey is YBZJESDHVVGFFY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(8-13(14)16-3)17-9-11-4-6-12(15-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate?
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate has a molecular weight of 238.28 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate is sourced from PubChem (CID 10799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).