1-[2-(4-tert-butylphenoxy)phenyl]ethanol

C18H22O2 — CID 43510250

IUPAC1-[2-(4-tert-butylphenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O2/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyFTOCLPXWTDTRQE-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.83
Rot. Bonds3

About 1-[2-(4-tert-butylphenoxy)phenyl]ethanol

1-[2-(4-tert-butylphenoxy)phenyl]ethanol (PubChem CID 43510250) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)phenyl]ethanol
PubChem CID43510250
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[2-(4-tert-butylphenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O2/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyFTOCLPXWTDTRQE-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)phenyl]ethanol (CID 43510250) is 1-[2-(4-tert-butylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)phenyl]ethanol is CC(O)c1ccccc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)phenyl]ethanol?
The InChIKey is FTOCLPXWTDTRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)phenyl]ethanol?
1-[2-(4-tert-butylphenoxy)phenyl]ethanol has a molecular weight of 270.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43510250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).