1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene

C15H18 — CID 139812665

IUPAC1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCC1=CC(c2ccc(C)cc2)=CC1
InChIInChI=1S/C15H18/c1-3-4-13-7-10-15(11-13)14-8-5-12(2)6-9-14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyXEXDPSNZXCCAQF-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.51
Rot. Bonds3

About 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene

1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139812665) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139812665
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCC1=CC(c2ccc(C)cc2)=CC1
InChIInChI=1S/C15H18/c1-3-4-13-7-10-15(11-13)14-8-5-12(2)6-9-14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyXEXDPSNZXCCAQF-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
CID 139812660
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
CID 139812661
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene
CID 139812655
1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
CID 139831018
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
CID 89266132
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
2-[3-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzenethiol
CID 144645005
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
CID 145163186

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene (CID 139812665) is 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene is CCCC1=CC(c2ccc(C)cc2)=CC1.
What is the InChIKey of 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is XEXDPSNZXCCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-4-13-7-10-15(11-13)14-8-5-12(2)6-9-14/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139812665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).