2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid

C29H30O12 — CID 86193789

IUPAC2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOCCOc2ccc(C(=O)O)c(OCCOCCOc3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C29H30O12/c30-27(31)20-1-5-22(6-2-20)38-15-11-36-13-17-40-24-9-10-25(29(34)35)26(19-24)41-18-14-37-12-16-39-23-7-3-21(4-8-23)28(32)33/h1-10,19H,11-18H2,(H,30,31)(H,32,33)(H,34,35)
InChIKeyHFEBHJHSASKRGD-UHFFFAOYSA-N
MW570.55 g/mol
LogP3.73
Rot. Bonds19

About 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid

2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid (PubChem CID 86193789) has the molecular formula C29H30O12 and a molecular weight of 570.55 g/mol. Its IUPAC name is 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
PubChem CID86193789
Molecular FormulaC29H30O12
Molecular Weight570.55 g/mol
Exact Mass570.17
IUPAC Name2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOCCOc2ccc(C(=O)O)c(OCCOCCOc3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C29H30O12/c30-27(31)20-1-5-22(6-2-20)38-15-11-36-13-17-40-24-9-10-25(29(34)35)26(19-24)41-18-14-37-12-16-39-23-7-3-21(4-8-23)28(32)33/h1-10,19H,11-18H2,(H,30,31)(H,32,33)(H,34,35)
InChIKeyHFEBHJHSASKRGD-UHFFFAOYSA-N
XLogP3.73
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.55
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic 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

2-[10-[4-(4-hydroxyphenyl)phenoxy]decoxy]terephthalic acid
CID 100915852
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
4-decoxy-2-hexoxybenzoic acid
CID 141156533
2-pentoxyterephthalic acid
CID 86182031
4-[2-(4,4,4-trifluorobutoxy)ethoxy]benzoic acid
CID 82788697
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
2-octadecoxyterephthalic acid
CID 142668937
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The IUPAC name of 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid (CID 86193789) is 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid is O=C(O)c1ccc(OCCOCCOc2ccc(C(=O)O)c(OCCOCCOc3ccc(C(=O)O)cc3)c2)cc1.
What is the InChIKey of 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The InChIKey is HFEBHJHSASKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O12/c30-27(31)20-1-5-22(6-2-20)38-15-11-36-13-17-40-24-9-10-25(29(34)35)26(19-24)41-18-14-37-12-16-39-23-7-3-21(4-8-23)28(32)33/h1-10,19H,11-18H2,(H,30,31)(H,32,33)(H,34,35).
What are the key properties of 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid has a molecular weight of 570.55 g/mol, XLogP of 3.73, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 86193789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).