1-(2-ethoxyethyl)-2-phenylbenzene

C16H18O — CID 3023481

IUPAC1-(2-ethoxyethyl)-2-phenylbenzene
SMILESCCOCCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H18O/c1-2-17-13-12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyHUCFUMWLYMWWHX-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-phenylbenzene

1-(2-ethoxyethyl)-2-phenylbenzene (PubChem CID 3023481) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-phenylbenzene
PubChem CID3023481
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-(2-ethoxyethyl)-2-phenylbenzene
SMILESCCOCCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H18O/c1-2-17-13-12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyHUCFUMWLYMWWHX-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-phenylbenzene?
The IUPAC name of 1-(2-ethoxyethyl)-2-phenylbenzene (CID 3023481) is 1-(2-ethoxyethyl)-2-phenylbenzene.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-phenylbenzene?
The canonical SMILES for 1-(2-ethoxyethyl)-2-phenylbenzene is CCOCCc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-ethoxyethyl)-2-phenylbenzene?
The InChIKey is HUCFUMWLYMWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-17-13-12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-phenylbenzene?
1-(2-ethoxyethyl)-2-phenylbenzene has a molecular weight of 226.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-phenylbenzene is sourced from PubChem (CID 3023481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).