1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene

C16H18 — CID 144513780

IUPAC1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(C2=CC=C(C)C2)c1
InChIInChI=1S/C16H18/c1-11(2)14-8-6-13(4)16(10-14)15-7-5-12(3)9-15/h5-8,10H,1,9H2,2-4H3
InChIKeyVLHFSPVTBVAWTK-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.76
Rot. Bonds2

About 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene

1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene (PubChem CID 144513780) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
PubChem CID144513780
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(C2=CC=C(C)C2)c1
InChIInChI=1S/C16H18/c1-11(2)14-8-6-13(4)16(10-14)15-7-5-12(3)9-15/h5-8,10H,1,9H2,2-4H3
InChIKeyVLHFSPVTBVAWTK-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclopenta-1,3-dien-1-yl-1-methyl-4-prop-1-en-2-ylbenzene
CID 144513942
3,6-bis(prop-1-en-2-yl)-9H-fluorene
CID 91033866
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
CID 91125880
CID 91125880
2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
CID 155472911
(2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
CID 58673212
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one
CID 144788909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene (CID 144513780) is 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)c(C2=CC=C(C)C2)c1.
What is the InChIKey of 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene?
The InChIKey is VLHFSPVTBVAWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11(2)14-8-6-13(4)16(10-14)15-7-5-12(3)9-15/h5-8,10H,1,9H2,2-4H3.
What are the key properties of 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene?
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144513780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).