cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone

C14H16O2 — CID 54254642

IUPACcyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
SMILESCOC1=CC=C(C(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C14H16O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeyQZDMOFYZEUERBN-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.08
Rot. Bonds3

About cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone

cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone (PubChem CID 54254642) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
PubChem CID54254642
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namecyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
SMILESCOC1=CC=C(C(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C14H16O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeyQZDMOFYZEUERBN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-5,6,7,8-tetrahydro-4h-chromene
CID 14993949
2-Cyclohexen-1-one, 3-methoxy-2-(2-propenyl)-
CID 10986611
3-Methoxy-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 12003839
1-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-one
CID 162552535
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 14220097
Cyclohexen-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 17785148
2-(4-Bromocyclohexa-1,3-dien-1-yl)-1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 91224297
1-(4-Butoxycyclohexa-1,3-dien-1-yl)ethanone
CID 118137096
Cyclohexa-1,3-dien-1-yl-[4-(oxetan-3-yloxy)cyclohexa-1,3-dien-1-yl]methanone
CID 123353603
1-[6-(2-Methoxyethyl)cyclohexa-1,5-dien-1-yl]heptan-1-one
CID 123398432
1-[6-(2-Methoxyethyl)-2-methylcyclohexa-1,5-dien-1-yl]propan-1-one
CID 123928073
(E)-1-(4-methoxycyclohexa-1,3-dien-1-yl)-2-methylbut-2-en-1-one
CID 126607847

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone (CID 54254642) is cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone is COC1=CC=C(C(=O)C2=CC=CCC2)CC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is QZDMOFYZEUERBN-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/h2-3,5,7,9H,4,6,8,10H2,1H3.
What are the key properties of cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone?
cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 54254642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).