9H-carbazole-1,2,3,5,6,8-hexol

C12H9NO6 — CID 171715050

IUPAC9H-carbazole-1,2,3,5,6,8-hexol
SMILESOc1cc2c([nH]c3c(O)cc(O)c(O)c32)c(O)c1O
InChIInChI=1S/C12H9NO6/c14-4-2-6(16)10(17)7-3-1-5(15)11(18)12(19)8(3)13-9(4)7/h1-2,13-19H
InChIKeyHNNLFDBVLPTNLV-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.55
Rot. Bonds

About 9H-carbazole-1,2,3,5,6,8-hexol

9H-carbazole-1,2,3,5,6,8-hexol (PubChem CID 171715050) has the molecular formula C12H9NO6 and a molecular weight of 263.20 g/mol. Its IUPAC name is 9H-carbazole-1,2,3,5,6,8-hexol.

Molecular Properties

Compound Name9H-carbazole-1,2,3,5,6,8-hexol
PubChem CID171715050
Molecular FormulaC12H9NO6
Molecular Weight263.20 g/mol
Exact Mass263.04
IUPAC Name9H-carbazole-1,2,3,5,6,8-hexol
SMILESOc1cc2c([nH]c3c(O)cc(O)c(O)c32)c(O)c1O
InChIInChI=1S/C12H9NO6/c14-4-2-6(16)10(17)7-3-1-5(15)11(18)12(19)8(3)13-9(4)7/h1-2,13-19H
InChIKeyHNNLFDBVLPTNLV-UHFFFAOYSA-N
XLogP1.55
TPSA137.17 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.20
LogP ≤ 51.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-1,2,3,5,6,8-hexol?
The IUPAC name of 9H-carbazole-1,2,3,5,6,8-hexol (CID 171715050) is 9H-carbazole-1,2,3,5,6,8-hexol.
What is the SMILES notation for 9H-carbazole-1,2,3,5,6,8-hexol?
The canonical SMILES for 9H-carbazole-1,2,3,5,6,8-hexol is Oc1cc2c([nH]c3c(O)cc(O)c(O)c32)c(O)c1O.
What is the InChIKey of 9H-carbazole-1,2,3,5,6,8-hexol?
The InChIKey is HNNLFDBVLPTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c14-4-2-6(16)10(17)7-3-1-5(15)11(18)12(19)8(3)13-9(4)7/h1-2,13-19H.
What are the key properties of 9H-carbazole-1,2,3,5,6,8-hexol?
9H-carbazole-1,2,3,5,6,8-hexol has a molecular weight of 263.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-1,2,3,5,6,8-hexol is sourced from PubChem (CID 171715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).