(2,2-diethoxy-1-phenylethyl)benzene

C18H22O2 — CID 11747648

IUPAC(2,2-diethoxy-1-phenylethyl)benzene
SMILESCCOC(OCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-3-19-18(20-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyIOENQNSBFIUXMG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.22
Rot. Bonds7

About (2,2-diethoxy-1-phenylethyl)benzene

(2,2-diethoxy-1-phenylethyl)benzene (PubChem CID 11747648) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2,2-diethoxy-1-phenylethyl)benzene.

Molecular Properties

Compound Name(2,2-diethoxy-1-phenylethyl)benzene
PubChem CID11747648
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(2,2-diethoxy-1-phenylethyl)benzene
SMILESCCOC(OCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-3-19-18(20-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyIOENQNSBFIUXMG-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of (2,2-diethoxy-1-phenylethyl)benzene?
The IUPAC name of (2,2-diethoxy-1-phenylethyl)benzene (CID 11747648) is (2,2-diethoxy-1-phenylethyl)benzene.
What is the SMILES notation for (2,2-diethoxy-1-phenylethyl)benzene?
The canonical SMILES for (2,2-diethoxy-1-phenylethyl)benzene is CCOC(OCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diethoxy-1-phenylethyl)benzene?
The InChIKey is IOENQNSBFIUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-19-18(20-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3.
What are the key properties of (2,2-diethoxy-1-phenylethyl)benzene?
(2,2-diethoxy-1-phenylethyl)benzene has a molecular weight of 270.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethoxy-1-phenylethyl)benzene is sourced from PubChem (CID 11747648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).