3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid

C23H30O7 — CID 57190095

IUPAC3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
SMILESCCOC(C)Oc1ccc(C(c2ccc(OC(C)OCC)cc2)C(O)C(=O)O)cc1
InChIInChI=1S/C23H30O7/c1-5-27-15(3)29-19-11-7-17(8-12-19)21(22(24)23(25)26)18-9-13-20(14-10-18)30-16(4)28-6-2/h7-16,21-22,24H,5-6H2,1-4H3,(H,25,26)
InChIKeySTPYRJACNJXRTL-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.79
Rot. Bonds12

About 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid

3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid (PubChem CID 57190095) has the molecular formula C23H30O7 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
PubChem CID57190095
Molecular FormulaC23H30O7
Molecular Weight418.49 g/mol
Exact Mass418.20
IUPAC Name3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
SMILESCCOC(C)Oc1ccc(C(c2ccc(OC(C)OCC)cc2)C(O)C(=O)O)cc1
InChIInChI=1S/C23H30O7/c1-5-27-15(3)29-19-11-7-17(8-12-19)21(22(24)23(25)26)18-9-13-20(14-10-18)30-16(4)28-6-2/h7-16,21-22,24H,5-6H2,1-4H3,(H,25,26)
InChIKeySTPYRJACNJXRTL-UHFFFAOYSA-N
XLogP3.79
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoate
CID 54137263
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid?
The IUPAC name of 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid (CID 57190095) is 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid is CCOC(C)Oc1ccc(C(c2ccc(OC(C)OCC)cc2)C(O)C(=O)O)cc1.
What is the InChIKey of 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid?
The InChIKey is STPYRJACNJXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O7/c1-5-27-15(3)29-19-11-7-17(8-12-19)21(22(24)23(25)26)18-9-13-20(14-10-18)30-16(4)28-6-2/h7-16,21-22,24H,5-6H2,1-4H3,(H,25,26).
What are the key properties of 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid?
3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid has a molecular weight of 418.49 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 57190095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).