2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid

C28H31NO4 — CID 58948638

IUPAC2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
SMILESCC(C)c1cccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1
InChIInChI=1S/C28H31NO4/c1-20(2)21-9-8-10-22(17-21)32-15-6-3-7-16-33-23-13-14-25-24-11-4-5-12-26(24)29(19-28(30)31)27(25)18-23/h4-5,8-14,17-18,20H,3,6-7,15-16,19H2,1-2H3,(H,30,31)
InChIKeyOXYREFDRIFHFIQ-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.63
Rot. Bonds11

About 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid

2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid (PubChem CID 58948638) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
PubChem CID58948638
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
SMILESCC(C)c1cccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1
InChIInChI=1S/C28H31NO4/c1-20(2)21-9-8-10-22(17-21)32-15-6-3-7-16-33-23-13-14-25-24-11-4-5-12-26(24)29(19-28(30)31)27(25)18-23/h4-5,8-14,17-18,20H,3,6-7,15-16,19H2,1-2H3,(H,30,31)
InChIKeyOXYREFDRIFHFIQ-UHFFFAOYSA-N
XLogP6.63
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic 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-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
CID 58948620
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948716
2-[2-[5-(6-cyanonaphthalen-2-yl)oxypentoxy]carbazol-9-yl]acetic acid
CID 58948679
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
CID 157189840
2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948662
2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948678
2-[2-[4-[(3-oxo-1,2-dihydroinden-5-yl)oxy]butoxy]carbazol-9-yl]acetic acid
CID 23627349
ethyl 2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetate
CID 91559387

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid (CID 58948638) is 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid is CC(C)c1cccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1.
What is the InChIKey of 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The InChIKey is OXYREFDRIFHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-20(2)21-9-8-10-22(17-21)32-15-6-3-7-16-33-23-13-14-25-24-11-4-5-12-26(24)29(19-28(30)31)27(25)18-23/h4-5,8-14,17-18,20H,3,6-7,15-16,19H2,1-2H3,(H,30,31).
What are the key properties of 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid has a molecular weight of 445.56 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).