1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene

C14H20O2 — CID 168878591

IUPAC1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene
SMILESCOc1cc(C)cc(OCCC=C(C)C)c1
InChIInChI=1S/C14H20O2/c1-11(2)6-5-7-16-14-9-12(3)8-13(10-14)15-4/h6,8-10H,5,7H2,1-4H3
InChIKeySSMSJARMCPVRCF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.74
Rot. Bonds5

About 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene

1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene (PubChem CID 168878591) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene
PubChem CID168878591
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene
SMILESCOc1cc(C)cc(OCCC=C(C)C)c1
InChIInChI=1S/C14H20O2/c1-11(2)6-5-7-16-14-9-12(3)8-13(10-14)15-4/h6,8-10H,5,7H2,1-4H3
InChIKeySSMSJARMCPVRCF-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
5-[3-methyl-5-(4-oxopentoxy)phenoxy]pentan-2-one
CID 102453718
4-(4-methylpent-3-enoxy)benzaldehyde
CID 139652723
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene?
The IUPAC name of 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene (CID 168878591) is 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene.
What is the SMILES notation for 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene?
The canonical SMILES for 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene is COc1cc(C)cc(OCCC=C(C)C)c1.
What is the InChIKey of 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene?
The InChIKey is SSMSJARMCPVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)6-5-7-16-14-9-12(3)8-13(10-14)15-4/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene?
1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene has a molecular weight of 220.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene is sourced from PubChem (CID 168878591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).