1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol

C16H24O4 — CID 104659735

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol
SMILESCOCCOc1ccccc1C(O)CC1CCCCO1
InChIInChI=1S/C16H24O4/c1-18-10-11-20-16-8-3-2-7-14(16)15(17)12-13-6-4-5-9-19-13/h2-3,7-8,13,15,17H,4-6,9-12H2,1H3
InChIKeyFASVRHCPPFDSIW-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol

1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol (PubChem CID 104659735) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol
PubChem CID104659735
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol
SMILESCOCCOc1ccccc1C(O)CC1CCCCO1
InChIInChI=1S/C16H24O4/c1-18-10-11-20-16-8-3-2-7-14(16)15(17)12-13-6-4-5-9-19-13/h2-3,7-8,13,15,17H,4-6,9-12H2,1H3
InChIKeyFASVRHCPPFDSIW-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659592
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 65157940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol (CID 104659735) is 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol is COCCOc1ccccc1C(O)CC1CCCCO1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol?
The InChIKey is FASVRHCPPFDSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-10-11-20-16-8-3-2-7-14(16)15(17)12-13-6-4-5-9-19-13/h2-3,7-8,13,15,17H,4-6,9-12H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol?
1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol has a molecular weight of 280.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 104659735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).