2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid

C27H25NO6 — CID 58554745

IUPAC2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid
SMILESCc1ccc(C(=O)OCCOC(=O)CCC(C(=O)O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H25NO6/c1-18-10-12-19(13-11-18)27(32)34-17-16-33-25(29)15-14-24(26(30)31)28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-13,24H,14-17H2,1H3,(H,30,31)
InChIKeyLNFSIHQNWPBCLW-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.91
Rot. Bonds9

About 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid

2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid (PubChem CID 58554745) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid
PubChem CID58554745
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Name2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid
SMILESCc1ccc(C(=O)OCCOC(=O)CCC(C(=O)O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H25NO6/c1-18-10-12-19(13-11-18)27(32)34-17-16-33-25(29)15-14-24(26(30)31)28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-13,24H,14-17H2,1H3,(H,30,31)
InChIKeyLNFSIHQNWPBCLW-UHFFFAOYSA-N
XLogP4.91
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid?
The IUPAC name of 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid (CID 58554745) is 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid?
The canonical SMILES for 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid is Cc1ccc(C(=O)OCCOC(=O)CCC(C(=O)O)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid?
The InChIKey is LNFSIHQNWPBCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6/c1-18-10-12-19(13-11-18)27(32)34-17-16-33-25(29)15-14-24(26(30)31)28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-13,24H,14-17H2,1H3,(H,30,31).
What are the key properties of 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid?
2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid has a molecular weight of 459.50 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-[2-(4-methylbenzoyl)oxyethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 58554745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).