1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene

C12H16O2 — CID 59727862

IUPAC1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
SMILESC=CCc1cc(COC)ccc1OC
InChIInChI=1S/C12H16O2/c1-4-5-11-8-10(9-13-2)6-7-12(11)14-3/h4,6-8H,1,5,9H2,2-3H3
InChIKeyFTHULEXUGPPTBY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.57
Rot. Bonds5

About 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene

1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene (PubChem CID 59727862) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
PubChem CID59727862
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
SMILESC=CCc1cc(COC)ccc1OC
InChIInChI=1S/C12H16O2/c1-4-5-11-8-10(9-13-2)6-7-12(11)14-3/h4,6-8H,1,5,9H2,2-3H3
InChIKeyFTHULEXUGPPTBY-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
CID 69284850
CID 69284850
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene (CID 59727862) is 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene is C=CCc1cc(COC)ccc1OC.
What is the InChIKey of 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene?
The InChIKey is FTHULEXUGPPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-5-11-8-10(9-13-2)6-7-12(11)14-3/h4,6-8H,1,5,9H2,2-3H3.
What are the key properties of 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene?
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene is sourced from PubChem (CID 59727862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).