5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol

C16H26O3 — CID 83939528

IUPAC5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
SMILESCCOc1cc(C)c(CCC(O)C(C)O)c(C)c1C
InChIInChI=1S/C16H26O3/c1-6-19-16-9-10(2)14(11(3)12(16)4)7-8-15(18)13(5)17/h9,13,15,17-18H,6-8H2,1-5H3
InChIKeyPOJZBEGRWSRCQC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.68
Rot. Bonds6

About 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol

5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol (PubChem CID 83939528) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
PubChem CID83939528
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
SMILESCCOc1cc(C)c(CCC(O)C(C)O)c(C)c1C
InChIInChI=1S/C16H26O3/c1-6-19-16-9-10(2)14(11(3)12(16)4)7-8-15(18)13(5)17/h9,13,15,17-18H,6-8H2,1-5H3
InChIKeyPOJZBEGRWSRCQC-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
CID 83939411
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
2-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83939555
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
CID 112719321
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
4-(4-chlorobutan-2-yl)-1-ethoxy-2,3,5-trimethylbenzene
CID 83939415

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol (CID 83939528) is 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol is CCOc1cc(C)c(CCC(O)C(C)O)c(C)c1C.
What is the InChIKey of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol?
The InChIKey is POJZBEGRWSRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-19-16-9-10(2)14(11(3)12(16)4)7-8-15(18)13(5)17/h9,13,15,17-18H,6-8H2,1-5H3.
What are the key properties of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol?
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol has a molecular weight of 266.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol is sourced from PubChem (CID 83939528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).