2-(4,6-diethyl-1,3-dioxan-2-yl)phenol

C14H20O3 — CID 126548901

IUPAC2-(4,6-diethyl-1,3-dioxan-2-yl)phenol
SMILESCCC1CC(CC)OC(c2ccccc2O)O1
InChIInChI=1S/C14H20O3/c1-3-10-9-11(4-2)17-14(16-10)12-7-5-6-8-13(12)15/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyFEDFSNMKDFGVQP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.38
Rot. Bonds3

About 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol

2-(4,6-diethyl-1,3-dioxan-2-yl)phenol (PubChem CID 126548901) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol.

Molecular Properties

Compound Name2-(4,6-diethyl-1,3-dioxan-2-yl)phenol
PubChem CID126548901
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4,6-diethyl-1,3-dioxan-2-yl)phenol
SMILESCCC1CC(CC)OC(c2ccccc2O)O1
InChIInChI=1S/C14H20O3/c1-3-10-9-11(4-2)17-14(16-10)12-7-5-6-8-13(12)15/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyFEDFSNMKDFGVQP-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6S)-4-[5-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]-2-hydroxypentyl]-6-methyl-1,3-dioxan-2-yl]phenol
CID 126546023
2-(5-methyl-1,3-dioxan-2-yl)phenol
CID 45117153
N-[[4-[3-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]propyl]-6-[2-hydroxy-5-[6-[4-hydroxy-5-[(6S)-2-(2-hydroxyphenyl)-6-methyl-1,3-dioxan-4-yl]pentyl]-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]pentyl]-1,3-dioxan-2-yl]methyl]acetamide
CID 126735510
2-[[4-[3-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]propyl]-6-[2-hydroxy-5-[6-[4-hydroxy-5-[(6S)-2-(2-hydroxyphenyl)-6-methyl-1,3-dioxan-4-yl]pentyl]-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]pentyl]-1,3-dioxan-2-yl]methyl]isoindole-1,3-dione
CID 126730931
2-(dioxiran-3-yl)phenol
CID 87283547
N-[[4-[5-[6-[3-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]propyl]-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]-4-hydroxypentyl]-6-[(4S)-4-hydroxypentyl]-1,3-dioxan-2-yl]methyl]benzenesulfonamide
CID 126735679
4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane
CID 59916910
2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
CID 752691
2,4-diethyl-6-phenyl-1,3-dioxane
CID 71439891
3-[4-ethyl-6-[(8S)-8-hydroxy-2,5,5,6,6-pentamethylnonan-2-yl]-1,3-dioxan-2-yl]benzene-1,2-diol
CID 130242128
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
3-[4-[5-[2-(5-cyano-2-hydroxyphenyl)-6-propyl-1,3-dioxan-4-yl]-4-hydroxypentyl]-6-ethyl-1,3-dioxan-2-yl]-4-hydroxybenzonitrile
CID 126765674

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol?
The IUPAC name of 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol (CID 126548901) is 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol.
What is the SMILES notation for 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol?
The canonical SMILES for 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol is CCC1CC(CC)OC(c2ccccc2O)O1.
What is the InChIKey of 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol?
The InChIKey is FEDFSNMKDFGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-10-9-11(4-2)17-14(16-10)12-7-5-6-8-13(12)15/h5-8,10-11,14-15H,3-4,9H2,1-2H3.
What are the key properties of 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol?
2-(4,6-diethyl-1,3-dioxan-2-yl)phenol has a molecular weight of 236.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-1,3-dioxan-2-yl)phenol is sourced from PubChem (CID 126548901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).