[2-(2-butoxyethoxy)phenyl]methanol

C13H20O3 — CID 29003825

IUPAC[2-(2-butoxyethoxy)phenyl]methanol
SMILESCCCCOCCOc1ccccc1CO
InChIInChI=1S/C13H20O3/c1-2-3-8-15-9-10-16-13-7-5-4-6-12(13)11-14/h4-7,14H,2-3,8-11H2,1H3
InChIKeyAPRISTYEICGEKK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.37
Rot. Bonds8

About [2-(2-butoxyethoxy)phenyl]methanol

[2-(2-butoxyethoxy)phenyl]methanol (PubChem CID 29003825) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2-(2-butoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-butoxyethoxy)phenyl]methanol
PubChem CID29003825
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[2-(2-butoxyethoxy)phenyl]methanol
SMILESCCCCOCCOc1ccccc1CO
InChIInChI=1S/C13H20O3/c1-2-3-8-15-9-10-16-13-7-5-4-6-12(13)11-14/h4-7,14H,2-3,8-11H2,1H3
InChIKeyAPRISTYEICGEKK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-octoxyphenyl)methanol
CID 43128604
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363

Frequently Asked Questions

What is the IUPAC name of [2-(2-butoxyethoxy)phenyl]methanol?
The IUPAC name of [2-(2-butoxyethoxy)phenyl]methanol (CID 29003825) is [2-(2-butoxyethoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-butoxyethoxy)phenyl]methanol?
The canonical SMILES for [2-(2-butoxyethoxy)phenyl]methanol is CCCCOCCOc1ccccc1CO.
What is the InChIKey of [2-(2-butoxyethoxy)phenyl]methanol?
The InChIKey is APRISTYEICGEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-8-15-9-10-16-13-7-5-4-6-12(13)11-14/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of [2-(2-butoxyethoxy)phenyl]methanol?
[2-(2-butoxyethoxy)phenyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butoxyethoxy)phenyl]methanol is sourced from PubChem (CID 29003825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).