3-[(4-tert-butylphenyl)methoxy]-5-methylphenol

C18H22O2 — CID 107679876

IUPAC3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
SMILESCc1cc(O)cc(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22O2/c1-13-9-16(19)11-17(10-13)20-12-14-5-7-15(8-6-14)18(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeySZABZPXHNDXSEG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.58
Rot. Bonds3

About 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol

3-[(4-tert-butylphenyl)methoxy]-5-methylphenol (PubChem CID 107679876) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
PubChem CID107679876
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
SMILESCc1cc(O)cc(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22O2/c1-13-9-16(19)11-17(10-13)20-12-14-5-7-15(8-6-14)18(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeySZABZPXHNDXSEG-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-[[4-(2-methylbutan-2-yl)phenyl]methoxy]phenol
CID 123417920
3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
CID 101207534
3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
CID 122476290
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
CID 175589747
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
CID 58912218
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol?
The IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol (CID 107679876) is 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol?
The canonical SMILES for 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol is Cc1cc(O)cc(OCc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol?
The InChIKey is SZABZPXHNDXSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-9-16(19)11-17(10-13)20-12-14-5-7-15(8-6-14)18(2,3)4/h5-11,19H,12H2,1-4H3.
What are the key properties of 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol?
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methoxy]-5-methylphenol is sourced from PubChem (CID 107679876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).