4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane

C17H26O2 — CID 123921780

IUPAC4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane
SMILESCCCC1(c2ccc(OC)cc2)CCOC(C)(C)C1
InChIInChI=1S/C17H26O2/c1-5-10-17(11-12-19-16(2,3)13-17)14-6-8-15(18-4)9-7-14/h6-9H,5,10-13H2,1-4H3
InChIKeyKJNBHUONVCAKSJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.32
Rot. Bonds4

About 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane

4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane (PubChem CID 123921780) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane
PubChem CID123921780
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane
SMILESCCCC1(c2ccc(OC)cc2)CCOC(C)(C)C1
InChIInChI=1S/C17H26O2/c1-5-10-17(11-12-19-16(2,3)13-17)14-6-8-15(18-4)9-7-14/h6-9H,5,10-13H2,1-4H3
InChIKeyKJNBHUONVCAKSJ-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
CID 176659697
2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(1R)-1-(4-methoxyphenyl)ethyl]azanium
CID 6984897
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 39378245
N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 39377991
2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 7077557
2-[(4S)-4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 753864
4-(4-methoxyphenyl)-2,2-dimethyloxane-4-carbonitrile
CID 4025749
2-[(2S,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7375796
2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetate
CID 6948997
2-[[2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol
CID 7078865

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane?
The IUPAC name of 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane (CID 123921780) is 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane?
The canonical SMILES for 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane is CCCC1(c2ccc(OC)cc2)CCOC(C)(C)C1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane?
The InChIKey is KJNBHUONVCAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-10-17(11-12-19-16(2,3)13-17)14-6-8-15(18-4)9-7-14/h6-9H,5,10-13H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane?
4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane has a molecular weight of 262.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane is sourced from PubChem (CID 123921780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).