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

C14H21NO3 — CID 82980162

IUPAC2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCCOC(C)C2)ccc1O
InChIInChI=1S/C14H21NO3/c1-11-9-15(6-3-7-18-11)10-12-4-5-13(16)14(8-12)17-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyQSTSZWZPPDTPGL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds3

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

2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol (PubChem CID 82980162) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
PubChem CID82980162
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCCOC(C)C2)ccc1O
InChIInChI=1S/C14H21NO3/c1-11-9-15(6-3-7-18-11)10-12-4-5-13(16)14(8-12)17-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyQSTSZWZPPDTPGL-UHFFFAOYSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980019
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
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
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
CID 62988833
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol (CID 82980162) is 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol is COc1cc(CN2CCCOC(C)C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
The InChIKey is QSTSZWZPPDTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-9-15(6-3-7-18-11)10-12-4-5-13(16)14(8-12)17-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol?
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol is sourced from PubChem (CID 82980162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).