1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene

C21H22 — CID 102591039

IUPAC1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene
SMILESC=C1C(=C(C)C)C1(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H22/c1-14(2)20-17(5)21(20,18-10-6-15(3)7-11-18)19-12-8-16(4)9-13-19/h6-13H,5H2,1-4H3
InChIKeyAGARWQRDMCWVPI-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.50
Rot. Bonds2

About 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene

1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene (PubChem CID 102591039) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene
PubChem CID102591039
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene
SMILESC=C1C(=C(C)C)C1(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H22/c1-14(2)20-17(5)21(20,18-10-6-15(3)7-11-18)19-12-8-16(4)9-13-19/h6-13H,5H2,1-4H3
InChIKeyAGARWQRDMCWVPI-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-bis(4-methylphenyl)oxirane
CID 12692604
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
3,5-dimethyl-6,6-bis(4-methylphenyl)bicyclo[2.1.1]hexa-1,4-diene
CID 173106249
ethane;methanol;1,4-xylene
CID 171074418
3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
CID 142150473
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
1,2,3,4,5,6-hexakis(4-methylphenyl)cyclohexane-1,2,3,4,5,6-hexacarboxylic acid
CID 66621345
1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
CID 121221553
1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one
CID 122234530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene?
The IUPAC name of 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene (CID 102591039) is 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene?
The canonical SMILES for 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene is C=C1C(=C(C)C)C1(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene?
The InChIKey is AGARWQRDMCWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-14(2)20-17(5)21(20,18-10-6-15(3)7-11-18)19-12-8-16(4)9-13-19/h6-13H,5H2,1-4H3.
What are the key properties of 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene?
1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene has a molecular weight of 274.41 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methylidene-1-(4-methylphenyl)-3-propan-2-ylidenecyclopropyl]benzene is sourced from PubChem (CID 102591039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).