2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol

C15H24O2 — CID 22374449

IUPAC2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol
SMILESCc1cc(C)cc(CCC(C)COCCO)c1
InChIInChI=1S/C15H24O2/c1-12(11-17-7-6-16)4-5-15-9-13(2)8-14(3)10-15/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyROCQJJBJNXYURE-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol

2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol (PubChem CID 22374449) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol
PubChem CID22374449
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol
SMILESCc1cc(C)cc(CCC(C)COCCO)c1
InChIInChI=1S/C15H24O2/c1-12(11-17-7-6-16)4-5-15-9-13(2)8-14(3)10-15/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyROCQJJBJNXYURE-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol (CID 22374449) is 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol is Cc1cc(C)cc(CCC(C)COCCO)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol?
The InChIKey is ROCQJJBJNXYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(11-17-7-6-16)4-5-15-9-13(2)8-14(3)10-15/h8-10,12,16H,4-7,11H2,1-3H3.
What are the key properties of 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol?
2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol has a molecular weight of 236.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol is sourced from PubChem (CID 22374449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).