1-(dimethoxymethyl)-4-ethylbenzene

C11H16O2 — CID 20549049

IUPAC1-(dimethoxymethyl)-4-ethylbenzene
SMILESCCc1ccc(C(OC)OC)cc1
InChIInChI=1S/C11H16O2/c1-4-9-5-7-10(8-6-9)11(12-2)13-3/h5-8,11H,4H2,1-3H3
InChIKeyHQQIGOQANNJSKH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.54
Rot. Bonds4

About 1-(dimethoxymethyl)-4-ethylbenzene

1-(dimethoxymethyl)-4-ethylbenzene (PubChem CID 20549049) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-ethylbenzene
PubChem CID20549049
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(dimethoxymethyl)-4-ethylbenzene
SMILESCCc1ccc(C(OC)OC)cc1
InChIInChI=1S/C11H16O2/c1-4-9-5-7-10(8-6-9)11(12-2)13-3/h5-8,11H,4H2,1-3H3
InChIKeyHQQIGOQANNJSKH-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dideuterio-[4-(dimethoxymethyl)phenyl]methanamine
CID 89477743
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-ethyl-4-(1-methoxybutan-2-yl)benzene
CID 156826765
1-(4-ethylphenyl)-N-methoxyethanamine
CID 82706514
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
CID 115705865
1-(2,2-dimethoxyethylsulfanyl)-4-ethylbenzene
CID 67157111
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-ethylbenzene?
The IUPAC name of 1-(dimethoxymethyl)-4-ethylbenzene (CID 20549049) is 1-(dimethoxymethyl)-4-ethylbenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-4-ethylbenzene?
The canonical SMILES for 1-(dimethoxymethyl)-4-ethylbenzene is CCc1ccc(C(OC)OC)cc1.
What is the InChIKey of 1-(dimethoxymethyl)-4-ethylbenzene?
The InChIKey is HQQIGOQANNJSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-9-5-7-10(8-6-9)11(12-2)13-3/h5-8,11H,4H2,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-4-ethylbenzene?
1-(dimethoxymethyl)-4-ethylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-ethylbenzene is sourced from PubChem (CID 20549049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).