3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid

C19H22O4 — CID 9149869

IUPAC3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCCOc1cc(CCC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C19H22O4/c1-3-22-18-12-15(9-11-19(20)21)8-10-17(18)23-13-16-6-4-14(2)5-7-16/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21)
InChIKeyCOXHLNNEAVPUAN-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.99
Rot. Bonds8

About 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid

3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 9149869) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
PubChem CID9149869
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCCOc1cc(CCC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C19H22O4/c1-3-22-18-12-15(9-11-19(20)21)8-10-17(18)23-13-16-6-4-14(2)5-7-16/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21)
InChIKeyCOXHLNNEAVPUAN-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 9151456
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
CID 23136391
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
5-(2-carboxyethyl)-2-ethoxybenzoic acid
CID 82052360
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504
4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoate
CID 9151455
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid (CID 9149869) is 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid is CCOc1cc(CCC(=O)O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is COXHLNNEAVPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-22-18-12-15(9-11-19(20)21)8-10-17(18)23-13-16-6-4-14(2)5-7-16/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid?
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 9149869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).