3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid

C19H22O4 — CID 18443572

IUPAC3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-2-12-22-18(19(20)21)13-15-8-10-17(11-9-15)23-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,20,21)
InChIKeySSQLTJYVGGGYSB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.69
Rot. Bonds9

About 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid

3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid (PubChem CID 18443572) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
PubChem CID18443572
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-2-12-22-18(19(20)21)13-15-8-10-17(11-9-15)23-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,20,21)
InChIKeySSQLTJYVGGGYSB-UHFFFAOYSA-N
XLogP3.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
methyl 2-hexoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 54519655
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
3-[4-(4-fluoren-9-ylidenebutoxy)phenyl]-2-propoxypropanoic acid
CID 23445778
(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 90468820
1-phenyl-2-propoxypentan-3-one
CID 83226669

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid?
The IUPAC name of 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid (CID 18443572) is 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid is CCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid?
The InChIKey is SSQLTJYVGGGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-12-22-18(19(20)21)13-15-8-10-17(11-9-15)23-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid?
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid is sourced from PubChem (CID 18443572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).