1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol

C14H22O2 — CID 116502601

IUPAC1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-10-6-5-7-11(2)13(10)8-14(15)12(3)9-16-4/h5-7,12,14-15H,8-9H2,1-4H3
InChIKeyKVVJUYHTXNCXQI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol

1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol (PubChem CID 116502601) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol
PubChem CID116502601
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-10-6-5-7-11(2)13(10)8-14(15)12(3)9-16-4/h5-7,12,14-15H,8-9H2,1-4H3
InChIKeyKVVJUYHTXNCXQI-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol (CID 116502601) is 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol is COCC(C)C(O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol?
The InChIKey is KVVJUYHTXNCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-6-5-7-11(2)13(10)8-14(15)12(3)9-16-4/h5-7,12,14-15H,8-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol?
1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 116502601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).