6-(phenoxymethyl)-1,4-oxazepan-6-ol

C12H17NO3 — CID 175661755

IUPAC6-(phenoxymethyl)-1,4-oxazepan-6-ol
SMILESOC1(COc2ccccc2)CNCCOC1
InChIInChI=1S/C12H17NO3/c14-12(8-13-6-7-15-9-12)10-16-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyFXMMGICCTCUMQR-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.42
Rot. Bonds3

About 6-(phenoxymethyl)-1,4-oxazepan-6-ol

6-(phenoxymethyl)-1,4-oxazepan-6-ol (PubChem CID 175661755) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-(phenoxymethyl)-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-(phenoxymethyl)-1,4-oxazepan-6-ol
PubChem CID175661755
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-(phenoxymethyl)-1,4-oxazepan-6-ol
SMILESOC1(COc2ccccc2)CNCCOC1
InChIInChI=1S/C12H17NO3/c14-12(8-13-6-7-15-9-12)10-16-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyFXMMGICCTCUMQR-UHFFFAOYSA-N
XLogP0.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-1,4-oxazepan-6-ol?
The IUPAC name of 6-(phenoxymethyl)-1,4-oxazepan-6-ol (CID 175661755) is 6-(phenoxymethyl)-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-(phenoxymethyl)-1,4-oxazepan-6-ol?
The canonical SMILES for 6-(phenoxymethyl)-1,4-oxazepan-6-ol is OC1(COc2ccccc2)CNCCOC1.
What is the InChIKey of 6-(phenoxymethyl)-1,4-oxazepan-6-ol?
The InChIKey is FXMMGICCTCUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-12(8-13-6-7-15-9-12)10-16-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of 6-(phenoxymethyl)-1,4-oxazepan-6-ol?
6-(phenoxymethyl)-1,4-oxazepan-6-ol has a molecular weight of 223.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-1,4-oxazepan-6-ol is sourced from PubChem (CID 175661755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).