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

C14H22O2 — CID 82473076

IUPAC4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(CCC(C)(C)O)c(C)c1C
InChIInChI=1S/C14H22O2/c1-10-11(2)13(16-5)7-6-12(10)8-9-14(3,4)15/h6-7,15H,8-9H2,1-5H3
InChIKeyCWDCVRGCVYDGGT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.02
Rot. Bonds4

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

4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol (PubChem CID 82473076) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
PubChem CID82473076
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(CCC(C)(C)O)c(C)c1C
InChIInChI=1S/C14H22O2/c1-10-11(2)13(16-5)7-6-12(10)8-9-14(3,4)15/h6-7,15H,8-9H2,1-5H3
InChIKeyCWDCVRGCVYDGGT-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
CID 98016298
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
CID 116925692
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
5-(4-methoxy-2,3-dimethylphenyl)pentanal
CID 98014243
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
CID 82470365
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol (CID 82473076) is 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol is COc1ccc(CCC(C)(C)O)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol?
The InChIKey is CWDCVRGCVYDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-11(2)13(16-5)7-6-12(10)8-9-14(3,4)15/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol?
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 82473076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).