2-[2-(4-methoxybutoxy)phenyl]ethanol

C13H20O3 — CID 107258154

IUPAC2-[2-(4-methoxybutoxy)phenyl]ethanol
SMILESCOCCCCOc1ccccc1CCO
InChIInChI=1S/C13H20O3/c1-15-10-4-5-11-16-13-7-3-2-6-12(13)8-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3
InChIKeyNYYCTYXTPDTDRE-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.03
Rot. Bonds8

About 2-[2-(4-methoxybutoxy)phenyl]ethanol

2-[2-(4-methoxybutoxy)phenyl]ethanol (PubChem CID 107258154) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(4-methoxybutoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxybutoxy)phenyl]ethanol
PubChem CID107258154
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[2-(4-methoxybutoxy)phenyl]ethanol
SMILESCOCCCCOc1ccccc1CCO
InChIInChI=1S/C13H20O3/c1-15-10-4-5-11-16-13-7-3-2-6-12(13)8-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3
InChIKeyNYYCTYXTPDTDRE-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pentoxyphenyl)ethanol
CID 91657515
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
CID 107713909
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
7-[2-(methoxymethoxy)phenyl]heptan-1-ol
CID 15737185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybutoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(4-methoxybutoxy)phenyl]ethanol (CID 107258154) is 2-[2-(4-methoxybutoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(4-methoxybutoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(4-methoxybutoxy)phenyl]ethanol is COCCCCOc1ccccc1CCO.
What is the InChIKey of 2-[2-(4-methoxybutoxy)phenyl]ethanol?
The InChIKey is NYYCTYXTPDTDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-15-10-4-5-11-16-13-7-3-2-6-12(13)8-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3.
What are the key properties of 2-[2-(4-methoxybutoxy)phenyl]ethanol?
2-[2-(4-methoxybutoxy)phenyl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybutoxy)phenyl]ethanol is sourced from PubChem (CID 107258154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).