1-ethyl-3-phenyl-2-phenylmethoxybenzene

C21H20O — CID 123935467

IUPAC1-ethyl-3-phenyl-2-phenylmethoxybenzene
SMILESCCc1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C21H20O/c1-2-18-14-9-15-20(19-12-7-4-8-13-19)21(18)22-16-17-10-5-3-6-11-17/h3-15H,2,16H2,1H3
InChIKeyCNMJQVPKOMHSCR-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.49
Rot. Bonds5

About 1-ethyl-3-phenyl-2-phenylmethoxybenzene

1-ethyl-3-phenyl-2-phenylmethoxybenzene (PubChem CID 123935467) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-ethyl-3-phenyl-2-phenylmethoxybenzene
PubChem CID123935467
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1-ethyl-3-phenyl-2-phenylmethoxybenzene
SMILESCCc1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C21H20O/c1-2-18-14-9-15-20(19-12-7-4-8-13-19)21(18)22-16-17-10-5-3-6-11-17/h3-15H,2,16H2,1H3
InChIKeyCNMJQVPKOMHSCR-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-2-phenylmethoxybenzene?
The IUPAC name of 1-ethyl-3-phenyl-2-phenylmethoxybenzene (CID 123935467) is 1-ethyl-3-phenyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-ethyl-3-phenyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-ethyl-3-phenyl-2-phenylmethoxybenzene is CCc1cccc(-c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 1-ethyl-3-phenyl-2-phenylmethoxybenzene?
The InChIKey is CNMJQVPKOMHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-2-18-14-9-15-20(19-12-7-4-8-13-19)21(18)22-16-17-10-5-3-6-11-17/h3-15H,2,16H2,1H3.
What are the key properties of 1-ethyl-3-phenyl-2-phenylmethoxybenzene?
1-ethyl-3-phenyl-2-phenylmethoxybenzene has a molecular weight of 288.39 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-2-phenylmethoxybenzene is sourced from PubChem (CID 123935467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).