(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

C20H20 — CID 139667594

IUPAC(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1
InChIInChI=1S/C20H20/c1-3-16-14-15(2)19(17-10-6-4-7-11-17)20(16)18-12-8-5-9-13-18/h4-13H,3,14H2,1-2H3
InChIKeyTXMNVXFENXNPIU-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.73
Rot. Bonds3

About (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139667594) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139667594
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1
InChIInChI=1S/C20H20/c1-3-16-14-15(2)19(17-10-6-4-7-11-17)20(16)18-12-8-5-9-13-18/h4-13H,3,14H2,1-2H3
InChIKeyTXMNVXFENXNPIU-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2-butyl-4-methyl-5-propan-2-ylcyclopenta-1,4-dien-1-yl)benzene
CID 139667609
[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
CID 175047118
3-methyl-4-phenyl-2H-furan-5-one
CID 576159
2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene
CID 22117997
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
CID 132501242
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;methanol;propane
CID 91033003
1,1-diethyl-2,3,4,5-tetraphenylgermole
CID 12724683

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 139667594) is (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is CCC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1.
What is the InChIKey of (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is TXMNVXFENXNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-3-16-14-15(2)19(17-10-6-4-7-11-17)20(16)18-12-8-5-9-13-18/h4-13H,3,14H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 260.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139667594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).