2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid

C13H18O5 — CID 64662178

IUPAC2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
SMILESCCC(Oc1ccc([C@@H](C)O)cc1OC)C(=O)O
InChIInChI=1S/C13H18O5/c1-4-10(13(15)16)18-11-6-5-9(8(2)14)7-12(11)17-3/h5-8,10,14H,4H2,1-3H3,(H,15,16)/t8-,10?/m1/s1
InChIKeyWRDYHUUFQHIYDQ-HNHGDDPOSA-N
MW254.28 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid

2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid (PubChem CID 64662178) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
PubChem CID64662178
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
SMILESCCC(Oc1ccc([C@@H](C)O)cc1OC)C(=O)O
InChIInChI=1S/C13H18O5/c1-4-10(13(15)16)18-11-6-5-9(8(2)14)7-12(11)17-3/h5-8,10,14H,4H2,1-3H3,(H,15,16)/t8-,10?/m1/s1
InChIKeyWRDYHUUFQHIYDQ-HNHGDDPOSA-N
XLogP1.99
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55190404
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid (CID 64662178) is 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid is CCC(Oc1ccc([C@@H](C)O)cc1OC)C(=O)O.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid?
The InChIKey is WRDYHUUFQHIYDQ-HNHGDDPOSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-10(13(15)16)18-11-6-5-9(8(2)14)7-12(11)17-3/h5-8,10,14H,4H2,1-3H3,(H,15,16)/t8-,10?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid?
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid has a molecular weight of 254.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid is sourced from PubChem (CID 64662178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).