2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane

C20H34O2 — CID 176659697

IUPAC2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
SMILESCCC.CCC1(C)CC(CC)(c2ccc(OC)cc2)CCO1
InChIInChI=1S/C17H26O2.C3H8/c1-5-16(3)13-17(6-2,11-12-19-16)14-7-9-15(18-4)10-8-14;1-3-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3
InChIKeyFRGBJQXLEUXBAO-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.74
Rot. Bonds4

About 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane

2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane (PubChem CID 176659697) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane.

Molecular Properties

Compound Name2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
PubChem CID176659697
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
SMILESCCC.CCC1(C)CC(CC)(c2ccc(OC)cc2)CCO1
InChIInChI=1S/C17H26O2.C3H8/c1-5-16(3)13-17(6-2,11-12-19-16)14-7-9-15(18-4)10-8-14;1-3-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3
InChIKeyFRGBJQXLEUXBAO-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethylazanium
CID 6934390
2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethylazanium
CID 6934388
2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetate
CID 6948997
2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 7077557
2-[(2S,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7375796
2-[[2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol
CID 7078865
4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane
CID 123921780
N-benzyl-N-[2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl]acetamide
CID 1147415
2-[(2S,4R)-2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine
CID 743696
2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetonitrile
CID 3132827
ethyl (2S)-2-cyano-2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetate
CID 838968
2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid
CID 5345976

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane?
The IUPAC name of 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane (CID 176659697) is 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane.
What is the SMILES notation for 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane?
The canonical SMILES for 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane is CCC.CCC1(C)CC(CC)(c2ccc(OC)cc2)CCO1.
What is the InChIKey of 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane?
The InChIKey is FRGBJQXLEUXBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C3H8/c1-5-16(3)13-17(6-2,11-12-19-16)14-7-9-15(18-4)10-8-14;1-3-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane?
2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane has a molecular weight of 306.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane is sourced from PubChem (CID 176659697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).