1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol

C15H24O3 — CID 116811120

IUPAC1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
SMILESCOc1cccc(OC)c1CCC(O)C(C)(C)C
InChIInChI=1S/C15H24O3/c1-15(2,3)14(16)10-9-11-12(17-4)7-6-8-13(11)18-5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyZUQHMNAFJHHFET-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.04
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol

1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol (PubChem CID 116811120) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
PubChem CID116811120
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
SMILESCOc1cccc(OC)c1CCC(O)C(C)(C)C
InChIInChI=1S/C15H24O3/c1-15(2,3)14(16)10-9-11-12(17-4)7-6-8-13(11)18-5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyZUQHMNAFJHHFET-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
2-butyl-1,3-dimethoxybenzene
CID 524840
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
CID 65316028
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836
3-methoxy-2-propylphenol
CID 10607156
2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
CID 20542041

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol (CID 116811120) is 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol is COc1cccc(OC)c1CCC(O)C(C)(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol?
The InChIKey is ZUQHMNAFJHHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-15(2,3)14(16)10-9-11-12(17-4)7-6-8-13(11)18-5/h6-8,14,16H,9-10H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol?
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol has a molecular weight of 252.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 116811120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).