(6R)-4-benzyl-1,4-oxazepan-6-ol

C12H17NO2 — CID 24865142

IUPAC(6R)-4-benzyl-1,4-oxazepan-6-ol
SMILESO[C@H]1COCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChIKeySQZLCDHCXXQFNQ-GFCCVEGCSA-N
MW207.27 g/mol
LogP0.88
Rot. Bonds2

About (6R)-4-benzyl-1,4-oxazepan-6-ol

(6R)-4-benzyl-1,4-oxazepan-6-ol (PubChem CID 24865142) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (6R)-4-benzyl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name(6R)-4-benzyl-1,4-oxazepan-6-ol
PubChem CID24865142
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(6R)-4-benzyl-1,4-oxazepan-6-ol
SMILESO[C@H]1COCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChIKeySQZLCDHCXXQFNQ-GFCCVEGCSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-benzyl-1,4-oxazepan-6-ol?
The IUPAC name of (6R)-4-benzyl-1,4-oxazepan-6-ol (CID 24865142) is (6R)-4-benzyl-1,4-oxazepan-6-ol.
What is the SMILES notation for (6R)-4-benzyl-1,4-oxazepan-6-ol?
The canonical SMILES for (6R)-4-benzyl-1,4-oxazepan-6-ol is O[C@H]1COCCN(Cc2ccccc2)C1.
What is the InChIKey of (6R)-4-benzyl-1,4-oxazepan-6-ol?
The InChIKey is SQZLCDHCXXQFNQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1.
What are the key properties of (6R)-4-benzyl-1,4-oxazepan-6-ol?
(6R)-4-benzyl-1,4-oxazepan-6-ol has a molecular weight of 207.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-benzyl-1,4-oxazepan-6-ol is sourced from PubChem (CID 24865142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).