1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

C14H22O4 — CID 103410264

IUPAC1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccccc1C(C)O
InChIInChI=1S/C14H22O4/c1-12(15)13-6-3-4-7-14(13)18-9-5-8-17-11-10-16-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyRWCAFIRJIKEVKJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.17
Rot. Bonds9

About 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (PubChem CID 103410264) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
PubChem CID103410264
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccccc1C(C)O
InChIInChI=1S/C14H22O4/c1-12(15)13-6-3-4-7-14(13)18-9-5-8-17-11-10-16-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyRWCAFIRJIKEVKJ-UHFFFAOYSA-N
XLogP2.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.17
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-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 61491136
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
CID 103179644
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
methyl 4-[2-[(1R)-1-hydroxyethyl]phenoxy]butanoate
CID 55189877
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (CID 103410264) is 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is COCCOCCCOc1ccccc1C(C)O.
What is the InChIKey of 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The InChIKey is RWCAFIRJIKEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-12(15)13-6-3-4-7-14(13)18-9-5-8-17-11-10-16-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is sourced from PubChem (CID 103410264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).