1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol

C16H26O3 — CID 83939907

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
SMILESCCOc1ccc(CCC(O)C(O)CC)c(C)c1C
InChIInChI=1S/C16H26O3/c1-5-14(17)15(18)9-7-13-8-10-16(19-6-2)12(4)11(13)3/h8,10,14-15,17-18H,5-7,9H2,1-4H3
InChIKeyDXQPRTIRQHCVSN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.77
Rot. Bonds7

About 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol

1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol (PubChem CID 83939907) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
PubChem CID83939907
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
SMILESCCOc1ccc(CCC(O)C(O)CC)c(C)c1C
InChIInChI=1S/C16H26O3/c1-5-14(17)15(18)9-7-13-8-10-16(19-6-2)12(4)11(13)3/h8,10,14-15,17-18H,5-7,9H2,1-4H3
InChIKeyDXQPRTIRQHCVSN-UHFFFAOYSA-N
XLogP2.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
CID 83939848
4-amino-1-(2,3-dimethyl-4-propoxyphenyl)heptan-3-ol
CID 83940028
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792
1-(4-ethoxy-3-propan-2-ylphenyl)hexane-3,4-diol
CID 83935305
3-(4-ethoxy-2,3-dimethylphenyl)propanethioamide
CID 83939838
2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83939972
1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
CID 83936503
3-(4-ethoxy-2,3-dimethylphenyl)propyl thiocyanate
CID 112719350
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939804
1-(4,5-diethoxy-2-fluorophenyl)heptane-3,4-diol
CID 83923176
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol (CID 83939907) is 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol is CCOc1ccc(CCC(O)C(O)CC)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol?
The InChIKey is DXQPRTIRQHCVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-14(17)15(18)9-7-13-8-10-16(19-6-2)12(4)11(13)3/h8,10,14-15,17-18H,5-7,9H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol?
1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol has a molecular weight of 266.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol is sourced from PubChem (CID 83939907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).