1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol

C14H22O2 — CID 116710695

IUPAC1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-5-14(16-4)13(15)9-12-10(2)7-6-8-11(12)3/h6-8,13-15H,5,9H2,1-4H3
InChIKeyKFGAIYDAPBSTGX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol

1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol (PubChem CID 116710695) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
PubChem CID116710695
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-5-14(16-4)13(15)9-12-10(2)7-6-8-11(12)3/h6-8,13-15H,5,9H2,1-4H3
InChIKeyKFGAIYDAPBSTGX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
1-(2,6-dimethylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502601
3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 112575476
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
(2R)-3-(2,6-dimethylphenyl)-2-ethoxypropanoic acid
CID 100528176

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol (CID 116710695) is 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol is CCC(OC)C(O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol?
The InChIKey is KFGAIYDAPBSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-14(16-4)13(15)9-12-10(2)7-6-8-11(12)3/h6-8,13-15H,5,9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol?
1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.63, 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)-3-methoxypentan-2-ol is sourced from PubChem (CID 116710695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).