1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol

C16H26O2 — CID 116712154

IUPAC1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C16H26O2/c1-6-18-16(11(2)3)15(17)10-14-12(4)8-7-9-13(14)5/h7-9,11,15-17H,6,10H2,1-5H3
InChIKeyPMPOYRYMEFLPSL-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.27
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol

1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol (PubChem CID 116712154) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
PubChem CID116712154
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1c(C)cccc1C
InChIInChI=1S/C16H26O2/c1-6-18-16(11(2)3)15(17)10-14-12(4)8-7-9-13(14)5/h7-9,11,15-17H,6,10H2,1-5H3
InChIKeyPMPOYRYMEFLPSL-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.27
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)-3-ethoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol (CID 116712154) is 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol is CCOC(C(C)C)C(O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol?
The InChIKey is PMPOYRYMEFLPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-18-16(11(2)3)15(17)10-14-12(4)8-7-9-13(14)5/h7-9,11,15-17H,6,10H2,1-5H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol?
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.27, 6 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-ethoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116712154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).