1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene

C15H22O — CID 67159636

IUPAC1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene
SMILESCOC=C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-12(11-16-5)10-13-6-8-14(9-7-13)15(2,3)4/h6-9,11H,10H2,1-5H3
InChIKeyRYAUOBTXIDJCEM-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.08
Rot. Bonds3

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

1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene (PubChem CID 67159636) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene
PubChem CID67159636
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene
SMILESCOC=C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-12(11-16-5)10-13-6-8-14(9-7-13)15(2,3)4/h6-9,11H,10H2,1-5H3
InChIKeyRYAUOBTXIDJCEM-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enoxy]-ethenyl-dimethylsilane
CID 54324109
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599
butyl [(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] carbonate
CID 70143823
[(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] 3-phenylpropanoate
CID 15838342
ethenyl 2-(4-tert-butylphenyl)acetate
CID 141004101
N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine
CID 69219667
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
CID 2756861
1-tert-butyl-4-[[(1Z,3Z,5E)-5-ethylidene-1-methoxy-7-methylocta-1,3,6-trien-2-yl]oxymethyl]benzene;ethane
CID 143260542
2-(4-tert-butylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450069
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene (CID 67159636) is 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene is COC=C(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene?
The InChIKey is RYAUOBTXIDJCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12(11-16-5)10-13-6-8-14(9-7-13)15(2,3)4/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene?
1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene has a molecular weight of 218.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene is sourced from PubChem (CID 67159636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).