3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol

C19H24O2 — CID 123661377

IUPAC3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol
SMILESCc1ccc(COc2cc(O)cc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H24O2/c1-13-6-7-15(14(2)8-13)12-21-18-10-16(19(3,4)5)9-17(20)11-18/h6-11,20H,12H2,1-5H3
InChIKeyRNOVFPHSHBALHL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.89
Rot. Bonds3

About 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol

3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol (PubChem CID 123661377) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol.

Molecular Properties

Compound Name3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol
PubChem CID123661377
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol
SMILESCc1ccc(COc2cc(O)cc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H24O2/c1-13-6-7-15(14(2)8-13)12-21-18-10-16(19(3,4)5)9-17(20)11-18/h6-11,20H,12H2,1-5H3
InChIKeyRNOVFPHSHBALHL-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
1-[3-[(4-tert-butyl-2-methylphenyl)methoxy]-5-methoxyphenyl]ethanone
CID 144776955
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
2-[(3-tert-butyl-5-ethenylphenoxy)methyl]-6-methylphenol
CID 144776454
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
CID 66875325
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol?
The IUPAC name of 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol (CID 123661377) is 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol.
What is the SMILES notation for 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol?
The canonical SMILES for 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol is Cc1ccc(COc2cc(O)cc(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol?
The InChIKey is RNOVFPHSHBALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-13-6-7-15(14(2)8-13)12-21-18-10-16(19(3,4)5)9-17(20)11-18/h6-11,20H,12H2,1-5H3.
What are the key properties of 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol?
3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol is sourced from PubChem (CID 123661377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).