2-(3-methoxyphenyl)-1,4-dimethylbenzene

C15H16O — CID 66641424

IUPAC2-(3-methoxyphenyl)-1,4-dimethylbenzene
SMILESCOc1cccc(-c2cc(C)ccc2C)c1
InChIInChI=1S/C15H16O/c1-11-7-8-12(2)15(9-11)13-5-4-6-14(10-13)16-3/h4-10H,1-3H3
InChIKeyHIDJWFLALDRZOF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.98
Rot. Bonds2

About 2-(3-methoxyphenyl)-1,4-dimethylbenzene

2-(3-methoxyphenyl)-1,4-dimethylbenzene (PubChem CID 66641424) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,4-dimethylbenzene
PubChem CID66641424
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-(3-methoxyphenyl)-1,4-dimethylbenzene
SMILESCOc1cccc(-c2cc(C)ccc2C)c1
InChIInChI=1S/C15H16O/c1-11-7-8-12(2)15(9-11)13-5-4-6-14(10-13)16-3/h4-10H,1-3H3
InChIKeyHIDJWFLALDRZOF-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(3-methoxyphenyl)-1,4-dimethylbenzene (CID 66641424) is 2-(3-methoxyphenyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(3-methoxyphenyl)-1,4-dimethylbenzene is COc1cccc(-c2cc(C)ccc2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,4-dimethylbenzene?
The InChIKey is HIDJWFLALDRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11-7-8-12(2)15(9-11)13-5-4-6-14(10-13)16-3/h4-10H,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-1,4-dimethylbenzene?
2-(3-methoxyphenyl)-1,4-dimethylbenzene has a molecular weight of 212.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,4-dimethylbenzene is sourced from PubChem (CID 66641424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).