1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol

C18H30O3 — CID 106666611

IUPAC1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol
SMILESCOC(C)(C)CCOCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30O3/c1-17(2,3)15-9-7-14(8-10-15)16(19)13-21-12-11-18(4,5)20-6/h7-10,16,19H,11-13H2,1-6H3
InChIKeyAXRNKIQZGFRFTJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol

1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol (PubChem CID 106666611) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol
PubChem CID106666611
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol
SMILESCOC(C)(C)CCOCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30O3/c1-17(2,3)15-9-7-14(8-10-15)16(19)13-21-12-11-18(4,5)20-6/h7-10,16,19H,11-13H2,1-6H3
InChIKeyAXRNKIQZGFRFTJ-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.85
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

1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106665153
1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
CID 82006561
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
3-(3-methoxy-3-methylbutoxy)-2-phenylpropane-1-thiol
CID 106668916
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
CID 106666594

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol (CID 106666611) is 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol is COC(C)(C)CCOCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol?
The InChIKey is AXRNKIQZGFRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-17(2,3)15-9-7-14(8-10-15)16(19)13-21-12-11-18(4,5)20-6/h7-10,16,19H,11-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol?
1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol has a molecular weight of 294.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol is sourced from PubChem (CID 106666611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).