2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol

C15H23NO4 — CID 82980019

IUPAC2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCCOC(C)C2)cc(OC)c1O
InChIInChI=1S/C15H23NO4/c1-11-9-16(5-4-6-20-11)10-12-7-13(18-2)15(17)14(8-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyNQAMBNYUUMRAID-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.02
Rot. Bonds4

About 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol

2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol (PubChem CID 82980019) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
PubChem CID82980019
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCCOC(C)C2)cc(OC)c1O
InChIInChI=1S/C15H23NO4/c1-11-9-16(5-4-6-20-11)10-12-7-13(18-2)15(17)14(8-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyNQAMBNYUUMRAID-UHFFFAOYSA-N
XLogP2.02
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
2,6-dimethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 78976743
N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
CID 62988833
1-[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]-N-methylmethanamine
CID 62988832
3-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 112646142
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol (CID 82980019) is 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol is COc1cc(CN2CCCOC(C)C2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The InChIKey is NQAMBNYUUMRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-9-16(5-4-6-20-11)10-12-7-13(18-2)15(17)14(8-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol has a molecular weight of 281.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol is sourced from PubChem (CID 82980019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).