4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene

C18H18 — CID 145162633

IUPAC4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene
SMILESCc1ccc(CC2=C=C2)cc1C1C=CC=CC1C
InChIInChI=1S/C18H18/c1-13-5-3-4-6-17(13)18-12-16(8-7-14(18)2)11-15-9-10-15/h3-9,12-13,17H,11H2,1-2H3
InChIKeyVGVYSUICJOZEGR-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.48
Rot. Bonds3

About 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene

4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene (PubChem CID 145162633) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene
PubChem CID145162633
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene
SMILESCc1ccc(CC2=C=C2)cc1C1C=CC=CC1C
InChIInChI=1S/C18H18/c1-13-5-3-4-6-17(13)18-12-16(8-7-14(18)2)11-15-9-10-15/h3-9,12-13,17H,11H2,1-2H3
InChIKeyVGVYSUICJOZEGR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)benzene
CID 145430584
2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 146228482
2-[(3,4-dimethoxyphenyl)methyl]-3-methyl-4a,8a-dihydronaphthalene-1,4-dione
CID 67057818
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
5,8-dimethyl-4a,9a-dihydroanthracene-9,10-dione
CID 59809381
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925896
2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium
CID 163833451
4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine
CID 151998040
1-iodo-4-[(4-iodo-3-methylphenyl)methyl]-2-methylbenzene
CID 130252033
1,2,3-trimethyl-3a,7a-dihydro-1H-indene
CID 22082629

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene (CID 145162633) is 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene is Cc1ccc(CC2=C=C2)cc1C1C=CC=CC1C.
What is the InChIKey of 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is VGVYSUICJOZEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-13-5-3-4-6-17(13)18-12-16(8-7-14(18)2)11-15-9-10-15/h3-9,12-13,17H,11H2,1-2H3.
What are the key properties of 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene?
4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropa-1,2-dien-1-ylmethyl)-1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 145162633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).