1-[2-(4-methylpentoxy)phenyl]ethanol

C14H22O2 — CID 112684876

IUPAC1-[2-(4-methylpentoxy)phenyl]ethanol
SMILESCC(C)CCCOc1ccccc1C(C)O
InChIInChI=1S/C14H22O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3
InChIKeyOGEJQYUYEWGYLE-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds6

About 1-[2-(4-methylpentoxy)phenyl]ethanol

1-[2-(4-methylpentoxy)phenyl]ethanol (PubChem CID 112684876) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(4-methylpentoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-methylpentoxy)phenyl]ethanol
PubChem CID112684876
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[2-(4-methylpentoxy)phenyl]ethanol
SMILESCC(C)CCCOc1ccccc1C(C)O
InChIInChI=1S/C14H22O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3
InChIKeyOGEJQYUYEWGYLE-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(4-methylpentoxy)phenyl]ethanol (CID 112684876) is 1-[2-(4-methylpentoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(4-methylpentoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(4-methylpentoxy)phenyl]ethanol is CC(C)CCCOc1ccccc1C(C)O.
What is the InChIKey of 1-[2-(4-methylpentoxy)phenyl]ethanol?
The InChIKey is OGEJQYUYEWGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3.
What are the key properties of 1-[2-(4-methylpentoxy)phenyl]ethanol?
1-[2-(4-methylpentoxy)phenyl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentoxy)phenyl]ethanol is sourced from PubChem (CID 112684876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).