2-(cyclobutylmethoxy)-3,5-dimethylphenol

C13H18O2 — CID 84674450

IUPAC2-(cyclobutylmethoxy)-3,5-dimethylphenol
SMILESCc1cc(C)c(OCC2CCC2)c(O)c1
InChIInChI=1S/C13H18O2/c1-9-6-10(2)13(12(14)7-9)15-8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyLHHCPJODRJNZRF-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.19
Rot. Bonds3

About 2-(cyclobutylmethoxy)-3,5-dimethylphenol

2-(cyclobutylmethoxy)-3,5-dimethylphenol (PubChem CID 84674450) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-3,5-dimethylphenol
PubChem CID84674450
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(cyclobutylmethoxy)-3,5-dimethylphenol
SMILESCc1cc(C)c(OCC2CCC2)c(O)c1
InChIInChI=1S/C13H18O2/c1-9-6-10(2)13(12(14)7-9)15-8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyLHHCPJODRJNZRF-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
CID 117464161
2-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
CID 117431564

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-3,5-dimethylphenol?
The IUPAC name of 2-(cyclobutylmethoxy)-3,5-dimethylphenol (CID 84674450) is 2-(cyclobutylmethoxy)-3,5-dimethylphenol.
What is the SMILES notation for 2-(cyclobutylmethoxy)-3,5-dimethylphenol?
The canonical SMILES for 2-(cyclobutylmethoxy)-3,5-dimethylphenol is Cc1cc(C)c(OCC2CCC2)c(O)c1.
What is the InChIKey of 2-(cyclobutylmethoxy)-3,5-dimethylphenol?
The InChIKey is LHHCPJODRJNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-10(2)13(12(14)7-9)15-8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3.
What are the key properties of 2-(cyclobutylmethoxy)-3,5-dimethylphenol?
2-(cyclobutylmethoxy)-3,5-dimethylphenol has a molecular weight of 206.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-3,5-dimethylphenol is sourced from PubChem (CID 84674450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).