2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol

C13H19NO3 — CID 82979671

IUPAC2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
SMILESCOc1ccc(CN2CCCOCC2)cc1O
InChIInChI=1S/C13H19NO3/c1-16-13-4-3-11(9-12(13)15)10-14-5-2-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyHGLUWFQNBDRBIG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds3

About 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol

2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol (PubChem CID 82979671) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
PubChem CID82979671
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
SMILESCOc1ccc(CN2CCCOCC2)cc1O
InChIInChI=1S/C13H19NO3/c1-16-13-4-3-11(9-12(13)15)10-14-5-2-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyHGLUWFQNBDRBIG-UHFFFAOYSA-N
XLogP1.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72916690
2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
CID 82980525
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
(2S)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97284756

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol?
The IUPAC name of 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol (CID 82979671) is 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol is COc1ccc(CN2CCCOCC2)cc1O.
What is the InChIKey of 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol?
The InChIKey is HGLUWFQNBDRBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13-4-3-11(9-12(13)15)10-14-5-2-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol?
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol has a molecular weight of 237.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol is sourced from PubChem (CID 82979671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).