cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone

C14H16O3 — CID 89467498

IUPACcyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2=CCCC=C2)C(O)=C1
InChIInChI=1S/C14H16O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-7,9,12,15H,2,4,8H2,1H3
InChIKeyDRXOABMOBQTARW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.82
Rot. Bonds3

About cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone

cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone (PubChem CID 89467498) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone
PubChem CID89467498
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namecyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2=CCCC=C2)C(O)=C1
InChIInChI=1S/C14H16O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-7,9,12,15H,2,4,8H2,1H3
InChIKeyDRXOABMOBQTARW-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone (CID 89467498) is cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone is COC1=CCC(C(=O)C2=CCCC=C2)C(O)=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is DRXOABMOBQTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-7,9,12,15H,2,4,8H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone?
cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 89467498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).