1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene

C22H22O2 — CID 24808153

IUPAC1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene
SMILESCOc1ccccc1COc1ccccc1CCc1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-13-7-6-12-20(21)17-24-22-14-8-5-11-19(22)16-15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeySKTXTIZJQIYZSP-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.06
Rot. Bonds7

About 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene

1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene (PubChem CID 24808153) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene
PubChem CID24808153
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene
SMILESCOc1ccccc1COc1ccccc1CCc1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-13-7-6-12-20(21)17-24-22-14-8-5-11-19(22)16-15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeySKTXTIZJQIYZSP-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene (CID 24808153) is 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene is COc1ccccc1COc1ccccc1CCc1ccccc1.
What is the InChIKey of 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The InChIKey is SKTXTIZJQIYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-23-21-13-7-6-12-20(21)17-24-22-14-8-5-11-19(22)16-15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3.
What are the key properties of 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene has a molecular weight of 318.42 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[[2-(2-phenylethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 24808153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).