1-(4-methoxypent-4-enyl)-4-methylbenzene

C13H18O — CID 159520064

IUPAC1-(4-methoxypent-4-enyl)-4-methylbenzene
SMILESC=C(CCCc1ccc(C)cc1)OC
InChIInChI=1S/C13H18O/c1-11-7-9-13(10-8-11)6-4-5-12(2)14-3/h7-10H,2,4-6H2,1,3H3
InChIKeyROFNABQJLIFRJT-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.48
Rot. Bonds5

About 1-(4-methoxypent-4-enyl)-4-methylbenzene

1-(4-methoxypent-4-enyl)-4-methylbenzene (PubChem CID 159520064) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(4-methoxypent-4-enyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(4-methoxypent-4-enyl)-4-methylbenzene
PubChem CID159520064
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(4-methoxypent-4-enyl)-4-methylbenzene
SMILESC=C(CCCc1ccc(C)cc1)OC
InChIInChI=1S/C13H18O/c1-11-7-9-13(10-8-11)6-4-5-12(2)14-3/h7-10H,2,4-6H2,1,3H3
InChIKeyROFNABQJLIFRJT-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.48
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

1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene
CID 170789369
2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline
CID 142277333
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
[3-methylidene-7-(4-methylphenyl)heptyl] acetate
CID 143300783

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypent-4-enyl)-4-methylbenzene?
The IUPAC name of 1-(4-methoxypent-4-enyl)-4-methylbenzene (CID 159520064) is 1-(4-methoxypent-4-enyl)-4-methylbenzene.
What is the SMILES notation for 1-(4-methoxypent-4-enyl)-4-methylbenzene?
The canonical SMILES for 1-(4-methoxypent-4-enyl)-4-methylbenzene is C=C(CCCc1ccc(C)cc1)OC.
What is the InChIKey of 1-(4-methoxypent-4-enyl)-4-methylbenzene?
The InChIKey is ROFNABQJLIFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-7-9-13(10-8-11)6-4-5-12(2)14-3/h7-10H,2,4-6H2,1,3H3.
What are the key properties of 1-(4-methoxypent-4-enyl)-4-methylbenzene?
1-(4-methoxypent-4-enyl)-4-methylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypent-4-enyl)-4-methylbenzene is sourced from PubChem (CID 159520064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).