(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol

C15H19NO — CID 71054565

IUPAC(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
SMILESCc1ccc2[nH]c3c(c2c1)CC(C)(CO)CC3
InChIInChI=1S/C15H19NO/c1-10-3-4-13-11(7-10)12-8-15(2,9-17)6-5-14(12)16-13/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyQMPJQYYOMLFYBO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.96
Rot. Bonds1

About (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol

(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol (PubChem CID 71054565) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol.

Molecular Properties

Compound Name(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
PubChem CID71054565
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
SMILESCc1ccc2[nH]c3c(c2c1)CC(C)(CO)CC3
InChIInChI=1S/C15H19NO/c1-10-3-4-13-11(7-10)12-8-15(2,9-17)6-5-14(12)16-13/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyQMPJQYYOMLFYBO-UHFFFAOYSA-N
XLogP2.96
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The IUPAC name of (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol (CID 71054565) is (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol.
What is the SMILES notation for (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The canonical SMILES for (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol is Cc1ccc2[nH]c3c(c2c1)CC(C)(CO)CC3.
What is the InChIKey of (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The InChIKey is QMPJQYYOMLFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-3-4-13-11(7-10)12-8-15(2,9-17)6-5-14(12)16-13/h3-4,7,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol has a molecular weight of 229.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol is sourced from PubChem (CID 71054565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).