1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene

C18H20O2 — CID 67892589

IUPAC1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(Oc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C18H20O2/c1-5-6-15-9-10-16(18(12-15)19-4)20-17-11-13(2)7-8-14(17)3/h5,7-12H,1,6H2,2-4H3
InChIKeyJKZRPFJGYQVWRP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.83
Rot. Bonds5

About 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene

1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene (PubChem CID 67892589) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
PubChem CID67892589
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(Oc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C18H20O2/c1-5-6-15-9-10-16(18(12-15)19-4)20-17-11-13(2)7-8-14(17)3/h5,7-12H,1,6H2,2-4H3
InChIKeyJKZRPFJGYQVWRP-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.83
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

2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-(2-methoxy-4-prop-2-enylphenoxy)-4-methylbenzenediazonium;2,2,2-trifluoroacetate
CID 134929478
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284242
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene (CID 67892589) is 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(Oc2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is JKZRPFJGYQVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-5-6-15-9-10-16(18(12-15)19-4)20-17-11-13(2)7-8-14(17)3/h5,7-12H,1,6H2,2-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene?
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 268.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 67892589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).