3-methoxy-2-(3-methylbutyl)phenol

C12H18O2 — CID 141105088

IUPAC3-methoxy-2-(3-methylbutyl)phenol
SMILESCOc1cccc(O)c1CCC(C)C
InChIInChI=1S/C12H18O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyVOUMVAOVHRBIIW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.99
Rot. Bonds4

About 3-methoxy-2-(3-methylbutyl)phenol

3-methoxy-2-(3-methylbutyl)phenol (PubChem CID 141105088) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylbutyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(3-methylbutyl)phenol
PubChem CID141105088
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methoxy-2-(3-methylbutyl)phenol
SMILESCOc1cccc(O)c1CCC(C)C
InChIInChI=1S/C12H18O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyVOUMVAOVHRBIIW-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-propylphenol
CID 10607156
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
CID 116811120
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
CID 67673367
2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
CID 117300578
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylbutyl)phenol?
The IUPAC name of 3-methoxy-2-(3-methylbutyl)phenol (CID 141105088) is 3-methoxy-2-(3-methylbutyl)phenol.
What is the SMILES notation for 3-methoxy-2-(3-methylbutyl)phenol?
The canonical SMILES for 3-methoxy-2-(3-methylbutyl)phenol is COc1cccc(O)c1CCC(C)C.
What is the InChIKey of 3-methoxy-2-(3-methylbutyl)phenol?
The InChIKey is VOUMVAOVHRBIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 3-methoxy-2-(3-methylbutyl)phenol?
3-methoxy-2-(3-methylbutyl)phenol has a molecular weight of 194.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylbutyl)phenol is sourced from PubChem (CID 141105088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).