5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene

C21H26O4 — CID 141085430

IUPAC5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene
SMILESC=Cc1cc(OC)cc(OCc2cc(OC)c(C(C)C)c(OC)c2)c1
InChIInChI=1S/C21H26O4/c1-7-15-8-17(22-4)12-18(9-15)25-13-16-10-19(23-5)21(14(2)3)20(11-16)24-6/h7-12,14H,1,13H2,2-6H3
InChIKeyRPYIDXBOUYYYSO-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.06
Rot. Bonds8

About 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene

5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene (PubChem CID 141085430) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene
PubChem CID141085430
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene
SMILESC=Cc1cc(OC)cc(OCc2cc(OC)c(C(C)C)c(OC)c2)c1
InChIInChI=1S/C21H26O4/c1-7-15-8-17(22-4)12-18(9-15)25-13-16-10-19(23-5)21(14(2)3)20(11-16)24-6/h7-12,14H,1,13H2,2-6H3
InChIKeyRPYIDXBOUYYYSO-UHFFFAOYSA-N
XLogP5.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene?
The IUPAC name of 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene (CID 141085430) is 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene?
The canonical SMILES for 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene is C=Cc1cc(OC)cc(OCc2cc(OC)c(C(C)C)c(OC)c2)c1.
What is the InChIKey of 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene?
The InChIKey is RPYIDXBOUYYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-7-15-8-17(22-4)12-18(9-15)25-13-16-10-19(23-5)21(14(2)3)20(11-16)24-6/h7-12,14H,1,13H2,2-6H3.
What are the key properties of 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene?
5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene has a molecular weight of 342.44 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 141085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).