[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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Related Compounds

(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol
CID 10850160
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
CID 10308292
9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
CID 71188000
dimethyl (4aR,11cS)-7-methyl-2,3,4,4a,6,11c-hexahydro-1H-benzo[c]carbazole-5,5-dicarboxylate
CID 11485043
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
(1,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 142650325
3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol
CID 21044532
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680
5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 146239877
(1S,11R,12S,22R)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene-11,22-diol
CID 102058607

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).