1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol

C16H24O4 — CID 62383597

IUPAC1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
SMILESCCOc1ccccc1C(O)COCC1CCOCC1
InChIInChI=1S/C16H24O4/c1-2-20-16-6-4-3-5-14(16)15(17)12-19-11-13-7-9-18-10-8-13/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyBGDGFSXKLWXXIY-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol

1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol (PubChem CID 62383597) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
PubChem CID62383597
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
SMILESCCOc1ccccc1C(O)COCC1CCOCC1
InChIInChI=1S/C16H24O4/c1-2-20-16-6-4-3-5-14(16)15(17)12-19-11-13-7-9-18-10-8-13/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyBGDGFSXKLWXXIY-UHFFFAOYSA-N
XLogP2.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
CID 103179644
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
CID 62383936
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol (CID 62383597) is 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol is CCOc1ccccc1C(O)COCC1CCOCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol?
The InChIKey is BGDGFSXKLWXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-20-16-6-4-3-5-14(16)15(17)12-19-11-13-7-9-18-10-8-13/h3-6,13,15,17H,2,7-12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol?
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol has a molecular weight of 280.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol is sourced from PubChem (CID 62383597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).