[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene

C18H22O2 — CID 22140522

IUPAC[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
SMILESCOCC(COC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-19-13-17(14-20-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyWVEZHRZEAFZJOI-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.73
Rot. Bonds7

About [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene

[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene (PubChem CID 22140522) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
PubChem CID22140522
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
SMILESCOCC(COC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-19-13-17(14-20-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyWVEZHRZEAFZJOI-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-1,1-diphenylpropan-2-yl)hydrazine
CID 105200297
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
CID 162473874
CID 162473874
(1R)-2-(chloromethyl)-3-methoxy-1-phenylpropan-1-ol
CID 140907423
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
3-methoxy-2-phenylpropan-1-amine
CID 66968828
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene?
The IUPAC name of [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene (CID 22140522) is [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene.
What is the SMILES notation for [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene?
The canonical SMILES for [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene is COCC(COC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene?
The InChIKey is WVEZHRZEAFZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-19-13-17(14-20-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene?
[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene has a molecular weight of 270.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene is sourced from PubChem (CID 22140522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).