2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid

C25H25NO4 — CID 58948689

IUPAC2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2ccccc2c2ccc(OCCCCCOc3ccccc3)cc21
InChIInChI=1S/C25H25NO4/c27-25(28)18-26-23-12-6-5-11-21(23)22-14-13-20(17-24(22)26)30-16-8-2-7-15-29-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,27,28)
InChIKeyQNLYIIDEEBRCII-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.51
Rot. Bonds10

About 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid

2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid (PubChem CID 58948689) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
PubChem CID58948689
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2ccccc2c2ccc(OCCCCCOc3ccccc3)cc21
InChIInChI=1S/C25H25NO4/c27-25(28)18-26-23-12-6-5-11-21(23)22-14-13-20(17-24(22)26)30-16-8-2-7-15-29-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,27,28)
InChIKeyQNLYIIDEEBRCII-UHFFFAOYSA-N
XLogP5.51
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948638
2-[2-[5-(6-cyanonaphthalen-2-yl)oxypentoxy]carbazol-9-yl]acetic acid
CID 58948679
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
CID 58948620
2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948716
2-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
2-[2-[4-[4-(1,2,4-triazol-1-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
CID 23628120
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
CID 157189840
2-[2-[4-[(3-oxo-1,2-dihydroinden-5-yl)oxy]butoxy]carbazol-9-yl]acetic acid
CID 23627349
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid (CID 58948689) is 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid is O=C(O)Cn1c2ccccc2c2ccc(OCCCCCOc3ccccc3)cc21.
What is the InChIKey of 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid?
The InChIKey is QNLYIIDEEBRCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c27-25(28)18-26-23-12-6-5-11-21(23)22-14-13-20(17-24(22)26)30-16-8-2-7-15-29-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,27,28).
What are the key properties of 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid?
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid has a molecular weight of 403.48 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).