2,7-dimethoxy-9H-carbazole-3-carbaldehyde

C15H13NO3 — CID 5317755

IUPAC2,7-dimethoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2c(c1)[nH]c1cc(OC)c(C=O)cc12
InChIInChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)15(19-2)7-14(12)16-13(11)6-10/h3-8,16H,1-2H3
InChIKeyKSAHTWWUVLYPSK-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.15
Rot. Bonds3

About 2,7-dimethoxy-9H-carbazole-3-carbaldehyde

2,7-dimethoxy-9H-carbazole-3-carbaldehyde (PubChem CID 5317755) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,7-dimethoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dimethoxy-9H-carbazole-3-carbaldehyde
PubChem CID5317755
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2,7-dimethoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2c(c1)[nH]c1cc(OC)c(C=O)cc12
InChIInChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)15(19-2)7-14(12)16-13(11)6-10/h3-8,16H,1-2H3
InChIKeyKSAHTWWUVLYPSK-UHFFFAOYSA-N
XLogP3.15
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,7-dimethoxy-9H-carbazole-3-carbaldehyde 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

6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
8-methoxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
CID 11149760
7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
CID 88867586
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
(1R,2S)-1,2-dihydroxy-9-methoxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
CID 102138564
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
3-(hydroxymethyl)-7-methoxy-9H-carbazol-2-ol
CID 134815955

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 2,7-dimethoxy-9H-carbazole-3-carbaldehyde (CID 5317755) is 2,7-dimethoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 2,7-dimethoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 2,7-dimethoxy-9H-carbazole-3-carbaldehyde is COc1ccc2c(c1)[nH]c1cc(OC)c(C=O)cc12.
What is the InChIKey of 2,7-dimethoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is KSAHTWWUVLYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)15(19-2)7-14(12)16-13(11)6-10/h3-8,16H,1-2H3.
What are the key properties of 2,7-dimethoxy-9H-carbazole-3-carbaldehyde?
2,7-dimethoxy-9H-carbazole-3-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 5317755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).