2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid

C19H22O4 — CID 175151387

IUPAC2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H22O4/c1-3-16(19(20)21)11-15-9-10-17(22-2)18(12-15)23-13-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyRWTKVORNDIGSOJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.93
Rot. Bonds8

About 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid

2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid (PubChem CID 175151387) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
PubChem CID175151387
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H22O4/c1-3-16(19(20)21)11-15-9-10-17(22-2)18(12-15)23-13-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyRWTKVORNDIGSOJ-UHFFFAOYSA-N
XLogP3.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]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-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,8-dimethylnonanoic acid
CID 22865675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid (CID 175151387) is 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid is CCC(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid?
The InChIKey is RWTKVORNDIGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-16(19(20)21)11-15-9-10-17(22-2)18(12-15)23-13-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid?
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 175151387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).