[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol

C16H21NO2 — CID 101402241

IUPAC[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol
SMILESCC1CC(CO)(CO)Cc2c1c1ccccc1n2C
InChIInChI=1S/C16H21NO2/c1-11-7-16(9-18,10-19)8-14-15(11)12-5-3-4-6-13(12)17(14)2/h3-6,11,18-19H,7-10H2,1-2H3
InChIKeyVDAFSFFEUUDTPY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.20
Rot. Bonds2

About [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol

[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol (PubChem CID 101402241) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol
PubChem CID101402241
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol
SMILESCC1CC(CO)(CO)Cc2c1c1ccccc1n2C
InChIInChI=1S/C16H21NO2/c1-11-7-16(9-18,10-19)8-14-15(11)12-5-3-4-6-13(12)17(14)2/h3-6,11,18-19H,7-10H2,1-2H3
InChIKeyVDAFSFFEUUDTPY-UHFFFAOYSA-N
XLogP2.20
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol (CID 101402241) is [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol is CC1CC(CO)(CO)Cc2c1c1ccccc1n2C.
What is the InChIKey of [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol?
The InChIKey is VDAFSFFEUUDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-7-16(9-18,10-19)8-14-15(11)12-5-3-4-6-13(12)17(14)2/h3-6,11,18-19H,7-10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol?
[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol is sourced from PubChem (CID 101402241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).