1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol

C23H30O3 — CID 69425854

IUPAC1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol
SMILESC=Cc1ccc(OC(OCCC)C(C)C)cc1.C=Cc1ccccc1O
InChIInChI=1S/C15H22O2.C8H8O/c1-5-11-16-15(12(3)4)17-14-9-7-13(6-2)8-10-14;1-2-7-5-3-4-6-8(7)9/h6-10,12,15H,2,5,11H2,1,3-4H3;2-6,9H,1H2
InChIKeyWYCZMQAAQCDOBI-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.15
Rot. Bonds8

About 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol

1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol (PubChem CID 69425854) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol.

Molecular Properties

Compound Name1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol
PubChem CID69425854
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol
SMILESC=Cc1ccc(OC(OCCC)C(C)C)cc1.C=Cc1ccccc1O
InChIInChI=1S/C15H22O2.C8H8O/c1-5-11-16-15(12(3)4)17-14-9-7-13(6-2)8-10-14;1-2-7-5-3-4-6-8(7)9/h6-10,12,15H,2,5,11H2,1,3-4H3;2-6,9H,1H2
InChIKeyWYCZMQAAQCDOBI-UHFFFAOYSA-N
XLogP6.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol?
The IUPAC name of 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol (CID 69425854) is 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol.
What is the SMILES notation for 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol?
The canonical SMILES for 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol is C=Cc1ccc(OC(OCCC)C(C)C)cc1.C=Cc1ccccc1O.
What is the InChIKey of 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol?
The InChIKey is WYCZMQAAQCDOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.C8H8O/c1-5-11-16-15(12(3)4)17-14-9-7-13(6-2)8-10-14;1-2-7-5-3-4-6-8(7)9/h6-10,12,15H,2,5,11H2,1,3-4H3;2-6,9H,1H2.
What are the key properties of 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol?
1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol has a molecular weight of 354.49 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol is sourced from PubChem (CID 69425854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).