2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid

C18H20O4 — CID 7139432

IUPAC2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H20O4/c1-3-21-17-10-15(11-18(19)20)8-9-16(17)22-12-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyMDEVEAKRWSPZPX-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.60
Rot. Bonds7

About 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid

2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid (PubChem CID 7139432) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
PubChem CID7139432
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H20O4/c1-3-21-17-10-15(11-18(19)20)8-9-16(17)22-12-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyMDEVEAKRWSPZPX-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 9151456
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
(2R)-2-azaniumyl-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetate
CID 7139566
4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoate
CID 9151455
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(E)-2-acetamido-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209603

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid (CID 7139432) is 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid is CCOc1cc(CC(=O)O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is MDEVEAKRWSPZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-21-17-10-15(11-18(19)20)8-9-16(17)22-12-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid?
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 300.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 7139432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).