1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol

C13H19NO3 — CID 112706609

IUPAC1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCOc2ccccc21
InChIInChI=1S/C13H19NO3/c1-16-10-11(15)9-14-7-4-8-17-13-6-3-2-5-12(13)14/h2-3,5-6,11,15H,4,7-10H2,1H3
InChIKeyRYWNPIFUCWCFNN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds4

About 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol

1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol (PubChem CID 112706609) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
PubChem CID112706609
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCOc2ccccc21
InChIInChI=1S/C13H19NO3/c1-16-10-11(15)9-14-7-4-8-17-13-6-3-2-5-12(13)14/h2-3,5-6,11,15H,4,7-10H2,1H3
InChIKeyRYWNPIFUCWCFNN-UHFFFAOYSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992213
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110898516
ethyl 3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propanoate
CID 112706613
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501869
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylmethyl)-3,3,3-trifluoropropanethioamide
CID 103368818
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227201
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
(2S)-1-[5-(difluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methoxypropan-2-ol
CID 167874480
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol (CID 112706609) is 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol is COCC(O)CN1CCCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol?
The InChIKey is RYWNPIFUCWCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-11(15)9-14-7-4-8-17-13-6-3-2-5-12(13)14/h2-3,5-6,11,15H,4,7-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol?
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 112706609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).