1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

C17H26O2 — CID 80684865

IUPAC1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)C2(C)CCCCO2)c(C)c1
InChIInChI=1S/C17H26O2/c1-12-9-13(2)15(14(3)10-12)11-16(18)17(4)7-5-6-8-19-17/h9-10,16,18H,5-8,11H2,1-4H3
InChIKeyYOZILXXRKDNFIL-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 80684865) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID80684865
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)C2(C)CCCCO2)c(C)c1
InChIInChI=1S/C17H26O2/c1-12-9-13(2)15(14(3)10-12)11-16(18)17(4)7-5-6-8-19-17/h9-10,16,18H,5-8,11H2,1-4H3
InChIKeyYOZILXXRKDNFIL-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 80684865) is 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)C2(C)CCCCO2)c(C)c1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is YOZILXXRKDNFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-9-13(2)15(14(3)10-12)11-16(18)17(4)7-5-6-8-19-17/h9-10,16,18H,5-8,11H2,1-4H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 262.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 80684865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).