2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene

C22H27F — CID 167306530

IUPAC2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene
SMILESCC/C(C)=C(/C)c1cc(C)c(-c2cccc(C)c2C)c(F)c1C
InChIInChI=1S/C22H27F/c1-8-13(2)16(5)20-12-15(4)21(22(23)18(20)7)19-11-9-10-14(3)17(19)6/h9-12H,8H2,1-7H3/b16-13-
InChIKeyAVOJMFSCGDFRJC-SSZFMOIBSA-N
MW310.46 g/mol
LogP6.93
Rot. Bonds3

About 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene

2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene (PubChem CID 167306530) has the molecular formula C22H27F and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene
PubChem CID167306530
Molecular FormulaC22H27F
Molecular Weight310.46 g/mol
Exact Mass310.21
IUPAC Name2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene
SMILESCC/C(C)=C(/C)c1cc(C)c(-c2cccc(C)c2C)c(F)c1C
InChIInChI=1S/C22H27F/c1-8-13(2)16(5)20-12-15(4)21(22(23)18(20)7)19-11-9-10-14(3)17(19)6/h9-12H,8H2,1-7H3/b16-13-
InChIKeyAVOJMFSCGDFRJC-SSZFMOIBSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene?
The IUPAC name of 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene (CID 167306530) is 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene?
The canonical SMILES for 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene is CC/C(C)=C(/C)c1cc(C)c(-c2cccc(C)c2C)c(F)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene?
The InChIKey is AVOJMFSCGDFRJC-SSZFMOIBSA-N. The full InChI is InChI=1S/C22H27F/c1-8-13(2)16(5)20-12-15(4)21(22(23)18(20)7)19-11-9-10-14(3)17(19)6/h9-12H,8H2,1-7H3/b16-13-.
What are the key properties of 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene?
2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene has a molecular weight of 310.46 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-3-fluoro-1,4-dimethyl-5-[(Z)-3-methylpent-2-en-2-yl]benzene is sourced from PubChem (CID 167306530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).