(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol

C18H22O2 — CID 78944861

IUPAC(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22O2/c1-13(19)16-10-5-6-11-17(16)20-15-9-7-8-14(12-15)18(2,3)4/h5-13,19H,1-4H3/t13-/m1/s1
InChIKeyTZPYOXRHRURQBQ-CYBMUJFWSA-N
MW270.37 g/mol
LogP4.83
Rot. Bonds3

About (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol

(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol (PubChem CID 78944861) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
PubChem CID78944861
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22O2/c1-13(19)16-10-5-6-11-17(16)20-15-9-7-8-14(12-15)18(2,3)4/h5-13,19H,1-4H3/t13-/m1/s1
InChIKeyTZPYOXRHRURQBQ-CYBMUJFWSA-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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Related Compounds

1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
CID 78944803
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol (CID 78944861) is (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol?
The InChIKey is TZPYOXRHRURQBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(19)16-10-5-6-11-17(16)20-15-9-7-8-14(12-15)18(2,3)4/h5-13,19H,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol?
(1R)-1-[2-(3-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 (1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol is sourced from PubChem (CID 78944861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).