1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol

C14H22O2 — CID 116711931

IUPAC1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H22O2/c1-9(2)14(16-5)13(15)12-7-6-10(3)8-11(12)4/h6-9,13-15H,1-5H3
InChIKeyIEADDVPQTMDKSI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol

1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 116711931) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
PubChem CID116711931
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H22O2/c1-9(2)14(16-5)13(15)12-7-6-10(3)8-11(12)4/h6-9,13-15H,1-5H3
InChIKeyIEADDVPQTMDKSI-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 116711995
methyl 2-[(2,4-dimethylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62393854
1-(2,4-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 116756761
1-(2,4-diaminophenyl)-2-methoxy-3-methylbutan-1-ol
CID 163709207
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070287
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol (CID 116711931) is 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol is COC(C(C)C)C(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is IEADDVPQTMDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)14(16-5)13(15)12-7-6-10(3)8-11(12)4/h6-9,13-15H,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol?
1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 116711931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).