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

C16H25NO3 — CID 62974390

IUPAC1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
SMILESCCOc1ccccc1C(O)CN1CCCOC(C)C1
InChIInChI=1S/C16H25NO3/c1-3-19-16-8-5-4-7-14(16)15(18)12-17-9-6-10-20-13(2)11-17/h4-5,7-8,13,15,18H,3,6,9-12H2,1-2H3
InChIKeyZITXEGXZWJYIJV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.23
Rot. Bonds5

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

1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol (PubChem CID 62974390) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
PubChem CID62974390
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
SMILESCCOc1ccccc1C(O)CN1CCCOC(C)C1
InChIInChI=1S/C16H25NO3/c1-3-19-16-8-5-4-7-14(16)15(18)12-17-9-6-10-20-13(2)11-17/h4-5,7-8,13,15,18H,3,6,9-12H2,1-2H3
InChIKeyZITXEGXZWJYIJV-UHFFFAOYSA-N
XLogP2.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
CID 82216400
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
1-(4-aminophenoxy)-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 62987736
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol (CID 62974390) is 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol is CCOc1ccccc1C(O)CN1CCCOC(C)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The InChIKey is ZITXEGXZWJYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-19-16-8-5-4-7-14(16)15(18)12-17-9-6-10-20-13(2)11-17/h4-5,7-8,13,15,18H,3,6,9-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol is sourced from PubChem (CID 62974390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).