1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene

C21H24O2 — CID 141214770

IUPAC1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene
SMILESC=CCOC(C)(C=C)c1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C21H24O2/c1-6-13-22-21(5,7-2)18-9-8-10-19(15-18)23-20-14-16(3)11-12-17(20)4/h6-12,14-15H,1-2,13H2,3-5H3
InChIKeyWGODCCMBVPSVCK-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.70
Rot. Bonds7

About 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene

1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene (PubChem CID 141214770) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene
PubChem CID141214770
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene
SMILESC=CCOC(C)(C=C)c1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C21H24O2/c1-6-13-22-21(5,7-2)18-9-8-10-19(15-18)23-20-14-16(3)11-12-17(20)4/h6-12,14-15H,1-2,13H2,3-5H3
InChIKeyWGODCCMBVPSVCK-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene?
The IUPAC name of 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene (CID 141214770) is 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene?
The canonical SMILES for 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene is C=CCOC(C)(C=C)c1cccc(Oc2cc(C)ccc2C)c1.
What is the InChIKey of 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene?
The InChIKey is WGODCCMBVPSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-6-13-22-21(5,7-2)18-9-8-10-19(15-18)23-20-14-16(3)11-12-17(20)4/h6-12,14-15H,1-2,13H2,3-5H3.
What are the key properties of 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene?
1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene has a molecular weight of 308.42 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene is sourced from PubChem (CID 141214770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).