1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde

C14H11NO3 — CID 130280433

IUPAC1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde
SMILESCc1cc2[nH]c3c(O)cc(C=O)cc3c2cc1O
InChIInChI=1S/C14H11NO3/c1-7-2-11-9(5-12(7)17)10-3-8(6-16)4-13(18)14(10)15-11/h2-6,15,17-18H,1H3
InChIKeyIXFWIWXYCHEOLF-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.85
Rot. Bonds1

About 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde

1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde (PubChem CID 130280433) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde
PubChem CID130280433
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde
SMILESCc1cc2[nH]c3c(O)cc(C=O)cc3c2cc1O
InChIInChI=1S/C14H11NO3/c1-7-2-11-9(5-12(7)17)10-3-8(6-16)4-13(18)14(10)15-11/h2-6,15,17-18H,1H3
InChIKeyIXFWIWXYCHEOLF-UHFFFAOYSA-N
XLogP2.85
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde?
The IUPAC name of 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde (CID 130280433) is 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde is Cc1cc2[nH]c3c(O)cc(C=O)cc3c2cc1O.
What is the InChIKey of 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde?
The InChIKey is IXFWIWXYCHEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-2-11-9(5-12(7)17)10-3-8(6-16)4-13(18)14(10)15-11/h2-6,15,17-18H,1H3.
What are the key properties of 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde?
1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 130280433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).