3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol

C17H13NO2 — CID 44579437

IUPAC3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
SMILESOCc1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C17H13NO2/c19-9-11-7-10-5-6-13-12-3-1-2-4-15(12)18-17(13)14(10)8-16(11)20/h1-8,18-20H,9H2
InChIKeyHGNBRXZQFPKZEQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.67
Rot. Bonds1

About 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol

3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol (PubChem CID 44579437) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
PubChem CID44579437
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
SMILESOCc1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C17H13NO2/c19-9-11-7-10-5-6-13-12-3-1-2-4-15(12)18-17(13)14(10)8-16(11)20/h1-8,18-20H,9H2
InChIKeyHGNBRXZQFPKZEQ-UHFFFAOYSA-N
XLogP3.67
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol?
The IUPAC name of 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol (CID 44579437) is 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol.
What is the SMILES notation for 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol?
The canonical SMILES for 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol is OCc1cc2ccc3c4ccccc4[nH]c3c2cc1O.
What is the InChIKey of 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol?
The InChIKey is HGNBRXZQFPKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-9-11-7-10-5-6-13-12-3-1-2-4-15(12)18-17(13)14(10)8-16(11)20/h1-8,18-20H,9H2.
What are the key properties of 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol?
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol has a molecular weight of 263.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol is sourced from PubChem (CID 44579437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).