(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol

C18H21NO2 — CID 103960137

IUPAC(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCOc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-2-17(20)15-8-4-5-9-16(15)19-11-12-21-18-10-6-3-7-14(18)13-19/h3-10,17,20H,2,11-13H2,1H3/t17-/m0/s1
InChIKeyCGIQCCLZTGDHAL-KRWDZBQOSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds3

About (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol

(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol (PubChem CID 103960137) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
PubChem CID103960137
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCOc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-2-17(20)15-8-4-5-9-16(15)19-11-12-21-18-10-6-3-7-14(18)13-19/h3-10,17,20H,2,11-13H2,1H3/t17-/m0/s1
InChIKeyCGIQCCLZTGDHAL-KRWDZBQOSA-N
XLogP3.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
CID 103960120
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959688
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
CID 113358948
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile
CID 60968039
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methylaniline
CID 63189674
4-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]phenol
CID 82962513
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
CID 124506000

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol (CID 103960137) is (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCOc2ccccc2C1.
What is the InChIKey of (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol?
The InChIKey is CGIQCCLZTGDHAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-17(20)15-8-4-5-9-16(15)19-11-12-21-18-10-6-3-7-14(18)13-19/h3-10,17,20H,2,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol?
(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).