4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid

C19H20O6 — CID 141111736

IUPAC4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
SMILESCC(C)(Oc1ccc(CCOc2ccc(C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C19H20O6/c1-19(2,18(22)23)25-16-7-3-13(4-8-16)11-12-24-15-9-5-14(6-10-15)17(20)21/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGVYXDZODSDUPSU-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.25
Rot. Bonds8

About 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid

4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid (PubChem CID 141111736) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
PubChem CID141111736
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
SMILESCC(C)(Oc1ccc(CCOc2ccc(C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C19H20O6/c1-19(2,18(22)23)25-16-7-3-13(4-8-16)11-12-24-15-9-5-14(6-10-15)17(20)21/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGVYXDZODSDUPSU-UHFFFAOYSA-N
XLogP3.25
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 141111717
2-[4-[2-[4-[(4-chlorophenyl)diazenyl]phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 155535303
2-[4-[2-[4-[(4-cyanophenyl)diazenyl]phenyl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 155554421
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
CID 54413560
2-[4-[2-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyethyl]phenoxy]-2-methylpropanoic acid
CID 24754074
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806396
2-methyl-2-[4-[3-(4-methylsulfonyloxyphenoxy)propoxy]phenoxy]propanoic acid
CID 11169347
4-(2-bromopropan-2-yloxy)benzoic acid
CID 174654971
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid (CID 141111736) is 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid is CC(C)(Oc1ccc(CCOc2ccc(C(=O)O)cc2)cc1)C(=O)O.
What is the InChIKey of 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid?
The InChIKey is GVYXDZODSDUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-19(2,18(22)23)25-16-7-3-13(4-8-16)11-12-24-15-9-5-14(6-10-15)17(20)21/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid?
4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid has a molecular weight of 344.36 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid is sourced from PubChem (CID 141111736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).