2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid

C26H27NO4 — CID 58948597

IUPAC2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
SMILESCc1ccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1
InChIInChI=1S/C26H27NO4/c1-19-9-11-20(12-10-19)30-15-5-2-6-16-31-21-13-14-23-22-7-3-4-8-24(22)27(18-26(28)29)25(23)17-21/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,28,29)
InChIKeyDCDFXIBVCSFNOP-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.82
Rot. Bonds10

About 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid

2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid (PubChem CID 58948597) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
PubChem CID58948597
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
SMILESCc1ccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1
InChIInChI=1S/C26H27NO4/c1-19-9-11-20(12-10-19)30-15-5-2-6-16-31-21-13-14-23-22-7-3-4-8-24(22)27(18-26(28)29)25(23)17-21/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,28,29)
InChIKeyDCDFXIBVCSFNOP-UHFFFAOYSA-N
XLogP5.82
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.82
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-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948638
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-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
CID 58948620
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-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
CID 23627288
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-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948678

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid (CID 58948597) is 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid is Cc1ccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1.
What is the InChIKey of 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
The InChIKey is DCDFXIBVCSFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-19-9-11-20(12-10-19)30-15-5-2-6-16-31-21-13-14-23-22-7-3-4-8-24(22)27(18-26(28)29)25(23)17-21/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,28,29).
What are the key properties of 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid?
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid has a molecular weight of 417.51 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).