cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane

C9H13O3P — CID 56627965

IUPACcyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane
SMILESCOP(O)(OC)=c1cccccc1
InChIInChI=1S/C9H13O3P/c1-11-13(10,12-2)9-7-5-3-4-6-8-9/h3-8,10H,1-2H3
InChIKeyUHPGOQWRPCMITJ-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.27
Rot. Bonds2

About cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane

cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane (PubChem CID 56627965) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane.

Molecular Properties

Compound Namecyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane
PubChem CID56627965
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namecyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane
SMILESCOP(O)(OC)=c1cccccc1
InChIInChI=1S/C9H13O3P/c1-11-13(10,12-2)9-7-5-3-4-6-8-9/h3-8,10H,1-2H3
InChIKeyUHPGOQWRPCMITJ-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane with MolForge

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

Launch Full Analysis

Related Compounds

1-Dimethoxyphosphorylcyclohepta-1,3-diene
CID 14784186
7-Dimethoxyphosphorylcyclohepta-1,3,5-triene
CID 13683623
methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142032629
ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
CID 142346781
methoxy-[(2E,6Z)-octa-2,6-dien-2-yl]phosphinous acid
CID 173895077
[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
CID 142346782

Frequently Asked Questions

What is the IUPAC name of cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane?
The IUPAC name of cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane (CID 56627965) is cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane.
What is the SMILES notation for cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane?
The canonical SMILES for cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane is COP(O)(OC)=c1cccccc1.
What is the InChIKey of cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane?
The InChIKey is UHPGOQWRPCMITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-11-13(10,12-2)9-7-5-3-4-6-8-9/h3-8,10H,1-2H3.
What are the key properties of cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane?
cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane has a molecular weight of 200.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-λ5-phosphane is sourced from PubChem (CID 56627965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).