1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene

C22H22O2 — CID 151399020

IUPAC1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene
SMILESCOCOc1ccccc1-c1ccc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C22H22O2/c1-16-17(2)20(14-13-19(16)18-9-5-4-6-10-18)21-11-7-8-12-22(21)24-15-23-3/h4-14H,15H2,1-3H3
InChIKeyOWBSEYZWQHYNGA-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.62
Rot. Bonds5

About 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene

1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene (PubChem CID 151399020) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene.

Molecular Properties

Compound Name1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene
PubChem CID151399020
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene
SMILESCOCOc1ccccc1-c1ccc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C22H22O2/c1-16-17(2)20(14-13-19(16)18-9-5-4-6-10-18)21-11-7-8-12-22(21)24-15-23-3/h4-14H,15H2,1-3H3
InChIKeyOWBSEYZWQHYNGA-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.62
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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Related Compounds

1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine
CID 54458284
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
CID 175245335
4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
CID 10616703
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene?
The IUPAC name of 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene (CID 151399020) is 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene.
What is the SMILES notation for 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene?
The canonical SMILES for 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene is COCOc1ccccc1-c1ccc(-c2ccccc2)c(C)c1C.
What is the InChIKey of 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene?
The InChIKey is OWBSEYZWQHYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-16-17(2)20(14-13-19(16)18-9-5-4-6-10-18)21-11-7-8-12-22(21)24-15-23-3/h4-14H,15H2,1-3H3.
What are the key properties of 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene?
1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene has a molecular weight of 318.42 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene is sourced from PubChem (CID 151399020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).