1,3-dimethoxy-5-(2-methylphenyl)benzene

C15H16O2 — CID 86038743

IUPAC1,3-dimethoxy-5-(2-methylphenyl)benzene
SMILESCOc1cc(OC)cc(-c2ccccc2C)c1
InChIInChI=1S/C15H16O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h4-10H,1-3H3
InChIKeyYDOLJWUMJZZWEB-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.68
Rot. Bonds3

About 1,3-dimethoxy-5-(2-methylphenyl)benzene

1,3-dimethoxy-5-(2-methylphenyl)benzene (PubChem CID 86038743) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-methylphenyl)benzene
PubChem CID86038743
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1,3-dimethoxy-5-(2-methylphenyl)benzene
SMILESCOc1cc(OC)cc(-c2ccccc2C)c1
InChIInChI=1S/C15H16O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h4-10H,1-3H3
InChIKeyYDOLJWUMJZZWEB-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-methylphenyl)benzene?
The IUPAC name of 1,3-dimethoxy-5-(2-methylphenyl)benzene (CID 86038743) is 1,3-dimethoxy-5-(2-methylphenyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(2-methylphenyl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(2-methylphenyl)benzene is COc1cc(OC)cc(-c2ccccc2C)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2-methylphenyl)benzene?
The InChIKey is YDOLJWUMJZZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h4-10H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-(2-methylphenyl)benzene?
1,3-dimethoxy-5-(2-methylphenyl)benzene has a molecular weight of 228.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-methylphenyl)benzene is sourced from PubChem (CID 86038743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).