4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene

C15H22O — CID 143542362

IUPAC4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene
SMILESC=C(C)C(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H22O/c1-11(2)12(3)6-7-14-8-9-15(16-5)13(4)10-14/h8-10,12H,1,6-7H2,2-5H3
InChIKeyPKGXLYFRXHARDX-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.15
Rot. Bonds5

About 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene

4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene (PubChem CID 143542362) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene
PubChem CID143542362
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene
SMILESC=C(C)C(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H22O/c1-11(2)12(3)6-7-14-8-9-15(16-5)13(4)10-14/h8-10,12H,1,6-7H2,2-5H3
InChIKeyPKGXLYFRXHARDX-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
CID 112518040
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691288
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene?
The IUPAC name of 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene (CID 143542362) is 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene is C=C(C)C(C)CCc1ccc(OC)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene?
The InChIKey is PKGXLYFRXHARDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)12(3)6-7-14-8-9-15(16-5)13(4)10-14/h8-10,12H,1,6-7H2,2-5H3.
What are the key properties of 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene?
4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene is sourced from PubChem (CID 143542362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).