3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol

C15H17NO2 — CID 84630884

IUPAC3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol
SMILESOCCCC1COc2c(ccc3ccccc23)N1
InChIInChI=1S/C15H17NO2/c17-9-3-5-12-10-18-15-13-6-2-1-4-11(13)7-8-14(15)16-12/h1-2,4,6-8,12,16-17H,3,5,9-10H2
InChIKeyCJXRVDHTGAUGDY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds3

About 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol

3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol (PubChem CID 84630884) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol
PubChem CID84630884
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol
SMILESOCCCC1COc2c(ccc3ccccc23)N1
InChIInChI=1S/C15H17NO2/c17-9-3-5-12-10-18-15-13-6-2-1-4-11(13)7-8-14(15)16-12/h1-2,4,6-8,12,16-17H,3,5,9-10H2
InChIKeyCJXRVDHTGAUGDY-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84621114
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CID 10976039
3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine
CID 84636107
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
CID 13157038
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
CID 102377836
1-(3-hydroxypropyl)-1H-cyclobuta[a]naphthalen-2-one
CID 10704431
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-(8-cyano-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propanoic acid
CID 84626838
(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
CID 54415078
(5-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol;ethane
CID 91192897

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol (CID 84630884) is 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol is OCCCC1COc2c(ccc3ccccc23)N1.
What is the InChIKey of 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol?
The InChIKey is CJXRVDHTGAUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-9-3-5-12-10-18-15-13-6-2-1-4-11(13)7-8-14(15)16-12/h1-2,4,6-8,12,16-17H,3,5,9-10H2.
What are the key properties of 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol?
3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol is sourced from PubChem (CID 84630884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).