1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol

C12H18O3 — CID 82284052

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
SMILESCCOc1cc(C)c(C(O)CO)cc1C
InChIInChI=1S/C12H18O3/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6,11,13-14H,4,7H2,1-3H3
InChIKeyJZVLBUOMVHNWOU-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol

1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol (PubChem CID 82284052) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
PubChem CID82284052
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
SMILESCCOc1cc(C)c(C(O)CO)cc1C
InChIInChI=1S/C12H18O3/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6,11,13-14H,4,7H2,1-3H3
InChIKeyJZVLBUOMVHNWOU-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83940835
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol (CID 82284052) is 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol is CCOc1cc(C)c(C(O)CO)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol?
The InChIKey is JZVLBUOMVHNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6,11,13-14H,4,7H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol?
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol is sourced from PubChem (CID 82284052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).