1-(methoxymethoxy)-3-methyl-2-phenylbenzene

C15H16O2 — CID 58214661

IUPAC1-(methoxymethoxy)-3-methyl-2-phenylbenzene
SMILESCOCOc1cccc(C)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-12-7-6-10-14(17-11-16-2)15(12)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyGILWBOPSXDDSBF-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.64
Rot. Bonds4

About 1-(methoxymethoxy)-3-methyl-2-phenylbenzene

1-(methoxymethoxy)-3-methyl-2-phenylbenzene (PubChem CID 58214661) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(methoxymethoxy)-3-methyl-2-phenylbenzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-3-methyl-2-phenylbenzene
PubChem CID58214661
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(methoxymethoxy)-3-methyl-2-phenylbenzene
SMILESCOCOc1cccc(C)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-12-7-6-10-14(17-11-16-2)15(12)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyGILWBOPSXDDSBF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-3-methyl-2-phenylbenzene?
The IUPAC name of 1-(methoxymethoxy)-3-methyl-2-phenylbenzene (CID 58214661) is 1-(methoxymethoxy)-3-methyl-2-phenylbenzene.
What is the SMILES notation for 1-(methoxymethoxy)-3-methyl-2-phenylbenzene?
The canonical SMILES for 1-(methoxymethoxy)-3-methyl-2-phenylbenzene is COCOc1cccc(C)c1-c1ccccc1.
What is the InChIKey of 1-(methoxymethoxy)-3-methyl-2-phenylbenzene?
The InChIKey is GILWBOPSXDDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12-7-6-10-14(17-11-16-2)15(12)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-3-methyl-2-phenylbenzene?
1-(methoxymethoxy)-3-methyl-2-phenylbenzene has a molecular weight of 228.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-3-methyl-2-phenylbenzene is sourced from PubChem (CID 58214661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).