1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene

C18H21FO — CID 59435901

IUPAC1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
SMILESCCc1ccc(-c2cc(C(C)C)c(F)cc2OC)cc1
InChIInChI=1S/C18H21FO/c1-5-13-6-8-14(9-7-13)16-10-15(12(2)3)17(19)11-18(16)20-4/h6-12H,5H2,1-4H3
InChIKeyAONCIOOWUNSYPD-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene

1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene (PubChem CID 59435901) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
PubChem CID59435901
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
SMILESCCc1ccc(-c2cc(C(C)C)c(F)cc2OC)cc1
InChIInChI=1S/C18H21FO/c1-5-13-6-8-14(9-7-13)16-10-15(12(2)3)17(19)11-18(16)20-4/h6-12H,5H2,1-4H3
InChIKeyAONCIOOWUNSYPD-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine
CID 143505570
1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 158608160
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
CID 59287355
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene
CID 166661123
ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
CID 143505536

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene?
The IUPAC name of 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene (CID 59435901) is 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene is CCc1ccc(-c2cc(C(C)C)c(F)cc2OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene?
The InChIKey is AONCIOOWUNSYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-5-13-6-8-14(9-7-13)16-10-15(12(2)3)17(19)11-18(16)20-4/h6-12H,5H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene?
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene has a molecular weight of 272.36 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 59435901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).