1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene

C24H30O2 — CID 145054483

IUPAC1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene
SMILESC=CCCc1c(OC)cc(C)cc1-c1cc(C)cc(CC)c1OCC=C
InChIInChI=1S/C24H30O2/c1-7-10-11-20-21(14-18(5)16-23(20)25-6)22-15-17(4)13-19(9-3)24(22)26-12-8-2/h7-8,13-16H,1-2,9-12H2,3-6H3
InChIKeyMMSWRTKOPMDESZ-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.22
Rot. Bonds9

About 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene

1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene (PubChem CID 145054483) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene
PubChem CID145054483
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene
SMILESC=CCCc1c(OC)cc(C)cc1-c1cc(C)cc(CC)c1OCC=C
InChIInChI=1S/C24H30O2/c1-7-10-11-20-21(14-18(5)16-23(20)25-6)22-15-17(4)13-19(9-3)24(22)26-12-8-2/h7-8,13-16H,1-2,9-12H2,3-6H3
InChIKeyMMSWRTKOPMDESZ-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.22
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

1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
ethyl 5-but-3-enyl-2,3,4-trimethyl-6-prop-2-enoxybenzoate
CID 101381866
1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
CID 102439840
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene?
The IUPAC name of 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene (CID 145054483) is 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene is C=CCCc1c(OC)cc(C)cc1-c1cc(C)cc(CC)c1OCC=C.
What is the InChIKey of 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene?
The InChIKey is MMSWRTKOPMDESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-7-10-11-20-21(14-18(5)16-23(20)25-6)22-15-17(4)13-19(9-3)24(22)26-12-8-2/h7-8,13-16H,1-2,9-12H2,3-6H3.
What are the key properties of 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene?
1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene has a molecular weight of 350.50 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene is sourced from PubChem (CID 145054483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).