2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol

C15H23NO2 — CID 62973662

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCCOC(C)C1
InChIInChI=1S/C15H23NO2/c1-12-6-3-4-7-14(12)15(17)11-16-8-5-9-18-13(2)10-16/h3-4,6-7,13,15,17H,5,8-11H2,1-2H3
InChIKeyIYWRVDXLOVGRMR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol

2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol (PubChem CID 62973662) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
PubChem CID62973662
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCCOC(C)C1
InChIInChI=1S/C15H23NO2/c1-12-6-3-4-7-14(12)15(17)11-16-8-5-9-18-13(2)10-16/h3-4,6-7,13,15,17H,5,8-11H2,1-2H3
InChIKeyIYWRVDXLOVGRMR-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62974389
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
2-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553631
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol (CID 62973662) is 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CN1CCCOC(C)C1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is IYWRVDXLOVGRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-3-4-7-14(12)15(17)11-16-8-5-9-18-13(2)10-16/h3-4,6-7,13,15,17H,5,8-11H2,1-2H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol?
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 62973662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).