2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione

C20H18O3 — CID 101232707

IUPAC2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
SMILESCC(C)OC1=C(C2C=CC=C2)C(=O)C=C(c2ccccc2)C1=O
InChIInChI=1S/C20H18O3/c1-13(2)23-20-18(15-10-6-7-11-15)17(21)12-16(19(20)22)14-8-4-3-5-9-14/h3-13,15H,1-2H3
InChIKeyVJEOIQMCTNYQIM-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione

2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione (PubChem CID 101232707) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
PubChem CID101232707
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
SMILESCC(C)OC1=C(C2C=CC=C2)C(=O)C=C(c2ccccc2)C1=O
InChIInChI=1S/C20H18O3/c1-13(2)23-20-18(15-10-6-7-11-15)17(21)12-16(19(20)22)14-8-4-3-5-9-14/h3-13,15H,1-2H3
InChIKeyVJEOIQMCTNYQIM-UHFFFAOYSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
CID 101232704
CID 134923819
CID 134923819
2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 132524293
3-bromo-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150862590
2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150421175
2-cyclopenta-2,4-dien-1-yl-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 101232705
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
2-phenylanthracene-1,4-dione
CID 165358923
4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288
2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 101232691
2-tert-butyl-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 19008554
4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 132937787

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione (CID 101232707) is 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione is CC(C)OC1=C(C2C=CC=C2)C(=O)C=C(c2ccccc2)C1=O.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The InChIKey is VJEOIQMCTNYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13(2)23-20-18(15-10-6-7-11-15)17(21)12-16(19(20)22)14-8-4-3-5-9-14/h3-13,15H,1-2H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione has a molecular weight of 306.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 101232707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).