cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone

C13H18O2 — CID 22073003

IUPACcyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone
SMILESO=C(C1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C13H18O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h2,5-6,9,11,15H,1,3-4,7-8,10H2
InChIKeySUGNQLYDZCBGRD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.38
Rot. Bonds2

About cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone

cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone (PubChem CID 22073003) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone
PubChem CID22073003
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Namecyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone
SMILESO=C(C1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C13H18O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h2,5-6,9,11,15H,1,3-4,7-8,10H2
InChIKeySUGNQLYDZCBGRD-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-(1-hydroxycyclohexa-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 cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone (CID 22073003) is cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone is O=C(C1CCCCC1)C1(O)C=CC=CC1.
What is the InChIKey of cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is SUGNQLYDZCBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h2,5-6,9,11,15H,1,3-4,7-8,10H2.
What are the key properties of cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone?
cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 22073003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).