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

C18H22O2 — CID 43506360

IUPAC1-[4-(2-tert-butylphenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22O2/c1-13(19)14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h5-13,19H,1-4H3
InChIKeyODCQNVLHDCXDLT-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.83
Rot. Bonds3

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

1-[4-(2-tert-butylphenoxy)phenyl]ethanol (PubChem CID 43506360) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[4-(2-tert-butylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-tert-butylphenoxy)phenyl]ethanol
PubChem CID43506360
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[4-(2-tert-butylphenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22O2/c1-13(19)14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h5-13,19H,1-4H3
InChIKeyODCQNVLHDCXDLT-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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Related Compounds

1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
CID 63647665
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
methyl 4-(2-tert-butylphenoxy)benzoate
CID 91084435
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
[4-(2-tert-butylphenoxy)-2-methylphenyl]methanol
CID 63540635
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(2-tert-butylphenoxy)phenyl]ethanol (CID 43506360) is 1-[4-(2-tert-butylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-tert-butylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-tert-butylphenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 1-[4-(2-tert-butylphenoxy)phenyl]ethanol?
The InChIKey is ODCQNVLHDCXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(19)14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 1-[4-(2-tert-butylphenoxy)phenyl]ethanol?
1-[4-(2-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-[4-(2-tert-butylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).