4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene

C18H21FO — CID 122674240

IUPAC4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene
SMILESCCOc1cc(-c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C18H21FO/c1-5-20-17-12-14(8-11-16(17)19)13-6-9-15(10-7-13)18(2,3)4/h6-12H,5H2,1-4H3
InChIKeyFGBUDOYUBJYKGF-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.19
Rot. Bonds3

About 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene

4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene (PubChem CID 122674240) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene
PubChem CID122674240
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene
SMILESCCOc1cc(-c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C18H21FO/c1-5-20-17-12-14(8-11-16(17)19)13-6-9-15(10-7-13)18(2,3)4/h6-12H,5H2,1-4H3
InChIKeyFGBUDOYUBJYKGF-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
CID 165380601
1,4-diethoxy-2,5-difluorobenzene
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4-(1,1-difluoropropyl)-1-ethoxy-2-fluorobenzene
CID 116841263
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
CID 70317834
CID 70317834
CID 68840655
CID 68840655
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
CID 58049401
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene?
The IUPAC name of 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene (CID 122674240) is 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene is CCOc1cc(-c2ccc(C(C)(C)C)cc2)ccc1F.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene?
The InChIKey is FGBUDOYUBJYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-5-20-17-12-14(8-11-16(17)19)13-6-9-15(10-7-13)18(2,3)4/h6-12H,5H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene?
4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene has a molecular weight of 272.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene is sourced from PubChem (CID 122674240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).