1-methoxy-3-[(2-methylphenoxy)methyl]benzene

C15H16O2 — CID 59416569

IUPAC1-methoxy-3-[(2-methylphenoxy)methyl]benzene
SMILESCOc1cccc(COc2ccccc2C)c1
InChIInChI=1S/C15H16O2/c1-12-6-3-4-9-15(12)17-11-13-7-5-8-14(10-13)16-2/h3-10H,11H2,1-2H3
InChIKeyDCWVVOKSQOMJFC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.58
Rot. Bonds4

About 1-methoxy-3-[(2-methylphenoxy)methyl]benzene

1-methoxy-3-[(2-methylphenoxy)methyl]benzene (PubChem CID 59416569) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylphenoxy)methyl]benzene
PubChem CID59416569
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-methoxy-3-[(2-methylphenoxy)methyl]benzene
SMILESCOc1cccc(COc2ccccc2C)c1
InChIInChI=1S/C15H16O2/c1-12-6-3-4-9-15(12)17-11-13-7-5-8-14(10-13)16-2/h3-10H,11H2,1-2H3
InChIKeyDCWVVOKSQOMJFC-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylphenoxy)methyl]benzene?
The IUPAC name of 1-methoxy-3-[(2-methylphenoxy)methyl]benzene (CID 59416569) is 1-methoxy-3-[(2-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(2-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-methoxy-3-[(2-methylphenoxy)methyl]benzene is COc1cccc(COc2ccccc2C)c1.
What is the InChIKey of 1-methoxy-3-[(2-methylphenoxy)methyl]benzene?
The InChIKey is DCWVVOKSQOMJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12-6-3-4-9-15(12)17-11-13-7-5-8-14(10-13)16-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-methoxy-3-[(2-methylphenoxy)methyl]benzene?
1-methoxy-3-[(2-methylphenoxy)methyl]benzene has a molecular weight of 228.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methylphenoxy)methyl]benzene is sourced from PubChem (CID 59416569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).