1-cyclohexa-2,5-dien-1-ylinden-4-one

C15H12O — CID 88711477

IUPAC1-cyclohexa-2,5-dien-1-ylinden-4-one
SMILESO=C1C=CC=C2C1=CC=C2C1C=CCC=C1
InChIInChI=1S/C15H12O/c16-15-8-4-7-13-12(9-10-14(13)15)11-5-2-1-3-6-11/h2-11H,1H2
InChIKeyKVHFHVCKEWAUKE-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.05
Rot. Bonds1

About 1-cyclohexa-2,5-dien-1-ylinden-4-one

1-cyclohexa-2,5-dien-1-ylinden-4-one (PubChem CID 88711477) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclohexa-2,5-dien-1-ylinden-4-one.

Molecular Properties

Compound Name1-cyclohexa-2,5-dien-1-ylinden-4-one
PubChem CID88711477
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1-cyclohexa-2,5-dien-1-ylinden-4-one
SMILESO=C1C=CC=C2C1=CC=C2C1C=CCC=C1
InChIInChI=1S/C15H12O/c16-15-8-4-7-13-12(9-10-14(13)15)11-5-2-1-3-6-11/h2-11H,1H2
InChIKeyKVHFHVCKEWAUKE-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,5-dien-1-ylinden-4-one?
The IUPAC name of 1-cyclohexa-2,5-dien-1-ylinden-4-one (CID 88711477) is 1-cyclohexa-2,5-dien-1-ylinden-4-one.
What is the SMILES notation for 1-cyclohexa-2,5-dien-1-ylinden-4-one?
The canonical SMILES for 1-cyclohexa-2,5-dien-1-ylinden-4-one is O=C1C=CC=C2C1=CC=C2C1C=CCC=C1.
What is the InChIKey of 1-cyclohexa-2,5-dien-1-ylinden-4-one?
The InChIKey is KVHFHVCKEWAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-15-8-4-7-13-12(9-10-14(13)15)11-5-2-1-3-6-11/h2-11H,1H2.
What are the key properties of 1-cyclohexa-2,5-dien-1-ylinden-4-one?
1-cyclohexa-2,5-dien-1-ylinden-4-one has a molecular weight of 208.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,5-dien-1-ylinden-4-one is sourced from PubChem (CID 88711477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).