3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid

C17H18O4 — CID 71348441

IUPAC3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-15-9-7-14(8-10-17(18)19)16(11-15)21-12-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyKENXLQVUVYKXHO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds7

About 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid

3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid (PubChem CID 71348441) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
PubChem CID71348441
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-15-9-7-14(8-10-17(18)19)16(11-15)21-12-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyKENXLQVUVYKXHO-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]-2-[(4-phenylmethoxyphenyl)methoxy]phenyl]propanoic acid;hydrochloride
CID 139987981
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22687548
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]-2-(pyridin-4-ylmethoxy)phenyl]propanoic acid
CID 139988013
2-[(4-methoxy-2-phenylmethoxyphenyl)methyl]-3,3-diphenylbutanoic acid
CID 140989107
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid (CID 71348441) is 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)c(OCc2ccccc2)c1.
What is the InChIKey of 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid?
The InChIKey is KENXLQVUVYKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-15-9-7-14(8-10-17(18)19)16(11-15)21-12-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,18,19).
What are the key properties of 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid?
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 71348441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).