3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid

C25H25NO4 — CID 3400928

IUPAC3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O
InChIInChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)
InChIKeyWUZIMDSVRIBNNI-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.91
Rot. Bonds9

About 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid

3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid (PubChem CID 3400928) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid
PubChem CID3400928
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O
InChIInChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)
InChIKeyWUZIMDSVRIBNNI-UHFFFAOYSA-N
XLogP4.91
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid?
The IUPAC name of 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid (CID 3400928) is 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid is CCOC(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O.
What is the InChIKey of 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid?
The InChIKey is WUZIMDSVRIBNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28).
What are the key properties of 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid?
3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid has a molecular weight of 403.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-ethoxypropanoic acid is sourced from PubChem (CID 3400928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).