1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

C23H22N2O3 — CID 72711395

IUPAC1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESOC(COc1ccc2[nH]c3ccccc3c2c1)CN1CCOc2ccccc21
InChIInChI=1S/C23H22N2O3/c26-16(14-25-11-12-27-23-8-4-3-7-22(23)25)15-28-17-9-10-21-19(13-17)18-5-1-2-6-20(18)24-21/h1-10,13,16,24,26H,11-12,14-15H2
InChIKeyYEYYCYXLMZEVRF-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.96
Rot. Bonds5

About 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (PubChem CID 72711395) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
PubChem CID72711395
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESOC(COc1ccc2[nH]c3ccccc3c2c1)CN1CCOc2ccccc21
InChIInChI=1S/C23H22N2O3/c26-16(14-25-11-12-27-23-8-4-3-7-22(23)25)15-28-17-9-10-21-19(13-17)18-5-1-2-6-20(18)24-21/h1-10,13,16,24,26H,11-12,14-15H2
InChIKeyYEYYCYXLMZEVRF-UHFFFAOYSA-N
XLogP3.96
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The IUPAC name of 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (CID 72711395) is 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is OC(COc1ccc2[nH]c3ccccc3c2c1)CN1CCOc2ccccc21.
What is the InChIKey of 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The InChIKey is YEYYCYXLMZEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-16(14-25-11-12-27-23-8-4-3-7-22(23)25)15-28-17-9-10-21-19(13-17)18-5-1-2-6-20(18)24-21/h1-10,13,16,24,26H,11-12,14-15H2.
What are the key properties of 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol has a molecular weight of 374.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yloxy)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is sourced from PubChem (CID 72711395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).