3-(3,3-dimethylbutoxy)-5-methylphenol

C13H20O2 — CID 107679623

IUPAC3-(3,3-dimethylbutoxy)-5-methylphenol
SMILESCc1cc(O)cc(OCCC(C)(C)C)c1
InChIInChI=1S/C13H20O2/c1-10-7-11(14)9-12(8-10)15-6-5-13(2,3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyUKOMXXCIKQEBIP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.52
Rot. Bonds3

About 3-(3,3-dimethylbutoxy)-5-methylphenol

3-(3,3-dimethylbutoxy)-5-methylphenol (PubChem CID 107679623) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-5-methylphenol.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-5-methylphenol
PubChem CID107679623
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(3,3-dimethylbutoxy)-5-methylphenol
SMILESCc1cc(O)cc(OCCC(C)(C)C)c1
InChIInChI=1S/C13H20O2/c1-10-7-11(14)9-12(8-10)15-6-5-13(2,3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyUKOMXXCIKQEBIP-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(3-methylbutoxy)phenol
CID 103847271
3-decoxy-5-methylphenol
CID 107679752
3-hex-5-ynoxy-5-methylphenol
CID 142382541
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
CID 59527538
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
3-(2-methoxypropoxy)-5-methylphenol
CID 107680368
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-5-methylphenol?
The IUPAC name of 3-(3,3-dimethylbutoxy)-5-methylphenol (CID 107679623) is 3-(3,3-dimethylbutoxy)-5-methylphenol.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-5-methylphenol?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-5-methylphenol is Cc1cc(O)cc(OCCC(C)(C)C)c1.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-5-methylphenol?
The InChIKey is UKOMXXCIKQEBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-7-11(14)9-12(8-10)15-6-5-13(2,3)4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-5-methylphenol?
3-(3,3-dimethylbutoxy)-5-methylphenol has a molecular weight of 208.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-5-methylphenol is sourced from PubChem (CID 107679623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).