1-(2-phenylethyl)-2-phenylmethoxybenzene

C21H20O — CID 11973811

IUPAC1-(2-phenylethyl)-2-phenylmethoxybenzene
SMILESc1ccc(CCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H20O/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyBMTUNIXXDMVUOW-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.05
Rot. Bonds6

About 1-(2-phenylethyl)-2-phenylmethoxybenzene

1-(2-phenylethyl)-2-phenylmethoxybenzene (PubChem CID 11973811) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-phenylmethoxybenzene
PubChem CID11973811
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1-(2-phenylethyl)-2-phenylmethoxybenzene
SMILESc1ccc(CCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H20O/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyBMTUNIXXDMVUOW-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-(2-phenylethyl)-2-phenylmethoxybenzene (CID 11973811) is 1-(2-phenylethyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-phenylethyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(2-phenylethyl)-2-phenylmethoxybenzene is c1ccc(CCc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-2-phenylmethoxybenzene?
The InChIKey is BMTUNIXXDMVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14H,15-17H2.
What are the key properties of 1-(2-phenylethyl)-2-phenylmethoxybenzene?
1-(2-phenylethyl)-2-phenylmethoxybenzene has a molecular weight of 288.39 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 11973811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).