(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid

C13H18O4 — CID 100542833

IUPAC(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
SMILESCCCO[C@H](Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C13H18O4/c1-3-7-17-12(13(14)15)9-10-5-4-6-11(8-10)16-2/h4-6,8,12H,3,7,9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyCKOIIWBKTDYSTP-GFCCVEGCSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds7

About (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid

(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid (PubChem CID 100542833) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
PubChem CID100542833
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
SMILESCCCO[C@H](Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C13H18O4/c1-3-7-17-12(13(14)15)9-10-5-4-6-11(8-10)16-2/h4-6,8,12H,3,7,9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyCKOIIWBKTDYSTP-GFCCVEGCSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid?
The IUPAC name of (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid (CID 100542833) is (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid.
What is the SMILES notation for (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid?
The canonical SMILES for (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid is CCCO[C@H](Cc1cccc(OC)c1)C(=O)O.
What is the InChIKey of (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid?
The InChIKey is CKOIIWBKTDYSTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-7-17-12(13(14)15)9-10-5-4-6-11(8-10)16-2/h4-6,8,12H,3,7,9H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid?
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid is sourced from PubChem (CID 100542833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).