1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene

C21H22 — CID 101080962

IUPAC1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=C=C2[C@H](C)[C@H]2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22/c1-14-5-9-18(10-6-14)21(13-20-16(3)17(20)4)19-11-7-15(2)8-12-19/h5-12,16-17H,1-4H3/t16-,17-/m1/s1
InChIKeyUBKCHPMMDBRHGZ-IAGOWNOFSA-N
MW274.41 g/mol
LogP5.55
Rot. Bonds2

About 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene

1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene (PubChem CID 101080962) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
PubChem CID101080962
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=C=C2[C@H](C)[C@H]2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22/c1-14-5-9-18(10-6-14)21(13-20-16(3)17(20)4)19-11-7-15(2)8-12-19/h5-12,16-17H,1-4H3/t16-,17-/m1/s1
InChIKeyUBKCHPMMDBRHGZ-IAGOWNOFSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The IUPAC name of 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene (CID 101080962) is 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The canonical SMILES for 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene is Cc1ccc(C(=C=C2[C@H](C)[C@H]2C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The InChIKey is UBKCHPMMDBRHGZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H22/c1-14-5-9-18(10-6-14)21(13-20-16(3)17(20)4)19-11-7-15(2)8-12-19/h5-12,16-17H,1-4H3/t16-,17-/m1/s1.
What are the key properties of 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene has a molecular weight of 274.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3R)-2,3-dimethylcyclopropylidene]-1-(4-methylphenyl)ethenyl]-4-methylbenzene is sourced from PubChem (CID 101080962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).