cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

C14H16O2 — CID 22421302

IUPACcyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C14H16O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-5,7,9-12H,6,8H2,1H3
InChIKeyUYUDAFRCNCGJKK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.79
Rot. Bonds3

About cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (PubChem CID 22421302) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
PubChem CID22421302
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namecyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C14H16O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-5,7,9-12H,6,8H2,1H3
InChIKeyUYUDAFRCNCGJKK-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (CID 22421302) is cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is COC1=CCC(C(=O)C2C=CC=CC2)C=C1.
What is the InChIKey of cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is UYUDAFRCNCGJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-5,7,9-12H,6,8H2,1H3.
What are the key properties of cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 22421302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).