1-ethyl-4-(4-propan-2-ylphenoxy)benzene

C17H20O — CID 66612955

IUPAC1-ethyl-4-(4-propan-2-ylphenoxy)benzene
SMILESCCc1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H20O/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3
InChIKeyKEPPWDYEOZQHOQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.16
Rot. Bonds4

About 1-ethyl-4-(4-propan-2-ylphenoxy)benzene

1-ethyl-4-(4-propan-2-ylphenoxy)benzene (PubChem CID 66612955) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethyl-4-(4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-propan-2-ylphenoxy)benzene
PubChem CID66612955
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-ethyl-4-(4-propan-2-ylphenoxy)benzene
SMILESCCc1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H20O/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3
InChIKeyKEPPWDYEOZQHOQ-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
CID 167608354

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-ethyl-4-(4-propan-2-ylphenoxy)benzene (CID 66612955) is 1-ethyl-4-(4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-ethyl-4-(4-propan-2-ylphenoxy)benzene is CCc1ccc(Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-ethyl-4-(4-propan-2-ylphenoxy)benzene?
The InChIKey is KEPPWDYEOZQHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-(4-propan-2-ylphenoxy)benzene?
1-ethyl-4-(4-propan-2-ylphenoxy)benzene has a molecular weight of 240.35 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 66612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).