(2-ethoxy-1-phenylbutyl)benzene

C18H22O — CID 15499938

IUPAC(2-ethoxy-1-phenylbutyl)benzene
SMILESCCOC(CC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c1-3-17(19-4-2)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyGPPCZAAEFZLYFR-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.63
Rot. Bonds6

About (2-ethoxy-1-phenylbutyl)benzene

(2-ethoxy-1-phenylbutyl)benzene (PubChem CID 15499938) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (2-ethoxy-1-phenylbutyl)benzene.

Molecular Properties

Compound Name(2-ethoxy-1-phenylbutyl)benzene
PubChem CID15499938
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(2-ethoxy-1-phenylbutyl)benzene
SMILESCCOC(CC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c1-3-17(19-4-2)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyGPPCZAAEFZLYFR-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1-phenylbutyl)benzene?
The IUPAC name of (2-ethoxy-1-phenylbutyl)benzene (CID 15499938) is (2-ethoxy-1-phenylbutyl)benzene.
What is the SMILES notation for (2-ethoxy-1-phenylbutyl)benzene?
The canonical SMILES for (2-ethoxy-1-phenylbutyl)benzene is CCOC(CC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethoxy-1-phenylbutyl)benzene?
The InChIKey is GPPCZAAEFZLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-17(19-4-2)18(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-ethoxy-1-phenylbutyl)benzene?
(2-ethoxy-1-phenylbutyl)benzene has a molecular weight of 254.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1-phenylbutyl)benzene is sourced from PubChem (CID 15499938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).