1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde

C16H13NO3 — CID 174875105

IUPAC1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
SMILESO=Cc1ccc2[nH]c3c(CCO)cc(C=O)cc3c2c1
InChIInChI=1S/C16H13NO3/c18-4-3-12-5-11(9-20)7-14-13-6-10(8-19)1-2-15(13)17-16(12)14/h1-2,5-9,17-18H,3-4H2
InChIKeyPFHDGVYIOKGPQN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde

1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde (PubChem CID 174875105) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
PubChem CID174875105
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
SMILESO=Cc1ccc2[nH]c3c(CCO)cc(C=O)cc3c2c1
InChIInChI=1S/C16H13NO3/c18-4-3-12-5-11(9-20)7-14-13-6-10(8-19)1-2-15(13)17-16(12)14/h1-2,5-9,17-18H,3-4H2
InChIKeyPFHDGVYIOKGPQN-UHFFFAOYSA-N
XLogP2.48
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde?
The IUPAC name of 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde (CID 174875105) is 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde.
What is the SMILES notation for 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde?
The canonical SMILES for 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde is O=Cc1ccc2[nH]c3c(CCO)cc(C=O)cc3c2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde?
The InChIKey is PFHDGVYIOKGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-4-3-12-5-11(9-20)7-14-13-6-10(8-19)1-2-15(13)17-16(12)14/h1-2,5-9,17-18H,3-4H2.
What are the key properties of 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde?
1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde has a molecular weight of 267.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 174875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).