(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol

C14H19NO2 — CID 139709225

IUPAC(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol
SMILESCN1CC(CO)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H19NO2/c1-15-8-12(9-16)17-14-7-11-5-3-2-4-10(11)6-13(14)15/h6-7,12,16H,2-5,8-9H2,1H3
InChIKeyOIJTUHVJVGDHBM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds1

About (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol

(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol (PubChem CID 139709225) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol
PubChem CID139709225
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol
SMILESCN1CC(CO)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H19NO2/c1-15-8-12(9-16)17-14-7-11-5-3-2-4-10(11)6-13(14)15/h6-7,12,16H,2-5,8-9H2,1H3
InChIKeyOIJTUHVJVGDHBM-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol?
The IUPAC name of (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol (CID 139709225) is (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol.
What is the SMILES notation for (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol?
The canonical SMILES for (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol is CN1CC(CO)Oc2cc3c(cc21)CCCC3.
What is the InChIKey of (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol?
The InChIKey is OIJTUHVJVGDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-12(9-16)17-14-7-11-5-3-2-4-10(11)6-13(14)15/h6-7,12,16H,2-5,8-9H2,1H3.
What are the key properties of (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol?
(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol has a molecular weight of 233.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol is sourced from PubChem (CID 139709225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).