2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol

C17H26O2 — CID 64984799

IUPAC2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
SMILESCCCC1CC(O)(c2cc(C)c(C)cc2C)CCO1
InChIInChI=1S/C17H26O2/c1-5-6-15-11-17(18,7-8-19-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,18H,5-8,11H2,1-4H3
InChIKeyUYWYFLHCOXROJE-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.78
Rot. Bonds3

About 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol

2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol (PubChem CID 64984799) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol.

Molecular Properties

Compound Name2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
PubChem CID64984799
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
SMILESCCCC1CC(O)(c2cc(C)c(C)cc2C)CCO1
InChIInChI=1S/C17H26O2/c1-5-6-15-11-17(18,7-8-19-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,18H,5-8,11H2,1-4H3
InChIKeyUYWYFLHCOXROJE-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol?
The IUPAC name of 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol (CID 64984799) is 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol.
What is the SMILES notation for 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol?
The canonical SMILES for 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol is CCCC1CC(O)(c2cc(C)c(C)cc2C)CCO1.
What is the InChIKey of 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol?
The InChIKey is UYWYFLHCOXROJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-6-15-11-17(18,7-8-19-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,18H,5-8,11H2,1-4H3.
What are the key properties of 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol?
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol has a molecular weight of 262.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol is sourced from PubChem (CID 64984799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).