1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene

C16H17F — CID 142860311

IUPAC1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
SMILESCCc1ccc(Cc2ccc(F)cc2C)cc1
InChIInChI=1S/C16H17F/c1-3-13-4-6-14(7-5-13)11-15-8-9-16(17)10-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyWRBFOPCGDIGZTB-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.29
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene

1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene (PubChem CID 142860311) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
PubChem CID142860311
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
SMILESCCc1ccc(Cc2ccc(F)cc2C)cc1
InChIInChI=1S/C16H17F/c1-3-13-4-6-14(7-5-13)11-15-8-9-16(17)10-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyWRBFOPCGDIGZTB-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene
CID 142923215
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
ethane;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene
CID 164905149
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene (CID 142860311) is 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene is CCc1ccc(Cc2ccc(F)cc2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene?
The InChIKey is WRBFOPCGDIGZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-3-13-4-6-14(7-5-13)11-15-8-9-16(17)10-12(15)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene?
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene has a molecular weight of 228.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 142860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).