1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol

C16H26O5 — CID 103179644

IUPAC1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
SMILESCCOc1ccccc1C(O)COCCOCCCOC
InChIInChI=1S/C16H26O5/c1-3-21-16-8-5-4-7-14(16)15(17)13-20-12-11-19-10-6-9-18-2/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3
InChIKeyXEQFKPXKTBICJZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.19
Rot. Bonds12

About 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol

1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol (PubChem CID 103179644) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
PubChem CID103179644
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
SMILESCCOc1ccccc1C(O)COCCOCCCOC
InChIInChI=1S/C16H26O5/c1-3-21-16-8-5-4-7-14(16)15(17)13-20-12-11-19-10-6-9-18-2/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3
InChIKeyXEQFKPXKTBICJZ-UHFFFAOYSA-N
XLogP2.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methoxyphenyl)ethanamine
CID 103401868
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
CID 62383597
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol (CID 103179644) is 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol is CCOc1ccccc1C(O)COCCOCCCOC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol?
The InChIKey is XEQFKPXKTBICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-3-21-16-8-5-4-7-14(16)15(17)13-20-12-11-19-10-6-9-18-2/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol?
1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol is sourced from PubChem (CID 103179644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).