7-methoxy-9-pentylcarbazole-3-carboxylic acid

C19H21NO3 — CID 66739603

IUPAC7-methoxy-9-pentylcarbazole-3-carboxylic acid
SMILESCCCCCn1c2ccc(C(=O)O)cc2c2ccc(OC)cc21
InChIInChI=1S/C19H21NO3/c1-3-4-5-10-20-17-9-6-13(19(21)22)11-16(17)15-8-7-14(23-2)12-18(15)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyLHSYQYRODUFVHM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.69
Rot. Bonds6

About 7-methoxy-9-pentylcarbazole-3-carboxylic acid

7-methoxy-9-pentylcarbazole-3-carboxylic acid (PubChem CID 66739603) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 7-methoxy-9-pentylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-9-pentylcarbazole-3-carboxylic acid
PubChem CID66739603
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name7-methoxy-9-pentylcarbazole-3-carboxylic acid
SMILESCCCCCn1c2ccc(C(=O)O)cc2c2ccc(OC)cc21
InChIInChI=1S/C19H21NO3/c1-3-4-5-10-20-17-9-6-13(19(21)22)11-16(17)15-8-7-14(23-2)12-18(15)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyLHSYQYRODUFVHM-UHFFFAOYSA-N
XLogP4.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
4-(9-octylcarbazol-3-yl)oxycarbonylbenzoic acid
CID 175213708
9-butyl-3-methoxycarbazole
CID 132503458
9-octadecyl-2-octoxycarbazole
CID 15163807
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-pentylcarbazole-3-carboxylic acid?
The IUPAC name of 7-methoxy-9-pentylcarbazole-3-carboxylic acid (CID 66739603) is 7-methoxy-9-pentylcarbazole-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-9-pentylcarbazole-3-carboxylic acid?
The canonical SMILES for 7-methoxy-9-pentylcarbazole-3-carboxylic acid is CCCCCn1c2ccc(C(=O)O)cc2c2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-9-pentylcarbazole-3-carboxylic acid?
The InChIKey is LHSYQYRODUFVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-4-5-10-20-17-9-6-13(19(21)22)11-16(17)15-8-7-14(23-2)12-18(15)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,22).
What are the key properties of 7-methoxy-9-pentylcarbazole-3-carboxylic acid?
7-methoxy-9-pentylcarbazole-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-pentylcarbazole-3-carboxylic acid is sourced from PubChem (CID 66739603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).