2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene

C15H20O — CID 123961498

IUPAC2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene
SMILESC=CCCc1cc(CC(=C)C)ccc1OC
InChIInChI=1S/C15H20O/c1-5-6-7-14-11-13(10-12(2)3)8-9-15(14)16-4/h5,8-9,11H,1-2,6-7,10H2,3-4H3
InChIKeyFCGRENBNTUASBW-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.93
Rot. Bonds6

About 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene

2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene (PubChem CID 123961498) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene
PubChem CID123961498
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene
SMILESC=CCCc1cc(CC(=C)C)ccc1OC
InChIInChI=1S/C15H20O/c1-5-6-7-14-11-13(10-12(2)3)8-9-15(14)16-4/h5,8-9,11H,1-2,6-7,10H2,3-4H3
InChIKeyFCGRENBNTUASBW-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862
1-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
methyl 2-(3-but-3-enyl-4-methoxyphenyl)benzoate
CID 101362622
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene?
The IUPAC name of 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene (CID 123961498) is 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene.
What is the SMILES notation for 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene?
The canonical SMILES for 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene is C=CCCc1cc(CC(=C)C)ccc1OC.
What is the InChIKey of 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene?
The InChIKey is FCGRENBNTUASBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-5-6-7-14-11-13(10-12(2)3)8-9-15(14)16-4/h5,8-9,11H,1-2,6-7,10H2,3-4H3.
What are the key properties of 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene?
2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene has a molecular weight of 216.32 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene is sourced from PubChem (CID 123961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).