[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol

C14H22O4 — CID 103180530

IUPAC[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
SMILESCOCCCOCCOc1ccc(C)cc1CO
InChIInChI=1S/C14H22O4/c1-12-4-5-14(13(10-12)11-15)18-9-8-17-7-3-6-16-2/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyASEUNBYHSUJWBY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds9

About [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol

[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol (PubChem CID 103180530) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
PubChem CID103180530
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
SMILESCOCCCOCCOc1ccc(C)cc1CO
InChIInChI=1S/C14H22O4/c1-12-4-5-14(13(10-12)11-15)18-9-8-17-7-3-6-16-2/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyASEUNBYHSUJWBY-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene
CID 142875818
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol (CID 103180530) is [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol is COCCCOCCOc1ccc(C)cc1CO.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol?
The InChIKey is ASEUNBYHSUJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-12-4-5-14(13(10-12)11-15)18-9-8-17-7-3-6-16-2/h4-5,10,15H,3,6-9,11H2,1-2H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol?
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol is sourced from PubChem (CID 103180530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).