2-benzyl-1,4-oxazepan-2-ol

C12H17NO2 — CID 91331323

IUPAC2-benzyl-1,4-oxazepan-2-ol
SMILESOC1(Cc2ccccc2)CNCCCO1
InChIInChI=1S/C12H17NO2/c14-12(10-13-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKeyBBNAWIWLVVZJAC-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.93
Rot. Bonds2

About 2-benzyl-1,4-oxazepan-2-ol

2-benzyl-1,4-oxazepan-2-ol (PubChem CID 91331323) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-benzyl-1,4-oxazepan-2-ol.

Molecular Properties

Compound Name2-benzyl-1,4-oxazepan-2-ol
PubChem CID91331323
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-benzyl-1,4-oxazepan-2-ol
SMILESOC1(Cc2ccccc2)CNCCCO1
InChIInChI=1S/C12H17NO2/c14-12(10-13-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKeyBBNAWIWLVVZJAC-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84772073
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,4-oxazepan-2-ol?
The IUPAC name of 2-benzyl-1,4-oxazepan-2-ol (CID 91331323) is 2-benzyl-1,4-oxazepan-2-ol.
What is the SMILES notation for 2-benzyl-1,4-oxazepan-2-ol?
The canonical SMILES for 2-benzyl-1,4-oxazepan-2-ol is OC1(Cc2ccccc2)CNCCCO1.
What is the InChIKey of 2-benzyl-1,4-oxazepan-2-ol?
The InChIKey is BBNAWIWLVVZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(10-13-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2.
What are the key properties of 2-benzyl-1,4-oxazepan-2-ol?
2-benzyl-1,4-oxazepan-2-ol has a molecular weight of 207.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4-oxazepan-2-ol is sourced from PubChem (CID 91331323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).