1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene

C14H16 — CID 59491860

IUPAC1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene
SMILESCCC1=CC=C(c2cccc(C)c2)C1
InChIInChI=1S/C14H16/c1-3-12-7-8-14(10-12)13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3
InChIKeyHQZQTDJVJISVAN-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene

1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene (PubChem CID 59491860) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene
PubChem CID59491860
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene
SMILESCCC1=CC=C(c2cccc(C)c2)C1
InChIInChI=1S/C14H16/c1-3-12-7-8-14(10-12)13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3
InChIKeyHQZQTDJVJISVAN-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene
CID 142940851
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The IUPAC name of 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene (CID 59491860) is 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene.
What is the SMILES notation for 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The canonical SMILES for 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene is CCC1=CC=C(c2cccc(C)c2)C1.
What is the InChIKey of 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The InChIKey is HQZQTDJVJISVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-12-7-8-14(10-12)13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene?
1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene has a molecular weight of 184.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene is sourced from PubChem (CID 59491860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).