3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene

C14H15OP — CID 134407070

IUPAC3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
SMILESCP(=O)(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C14H15OP/c1-16(15,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-12H,3H2,1H3
InChIKeySSPLUJJDAZWEPM-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.70
Rot. Bonds2

About 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene

3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene (PubChem CID 134407070) has the molecular formula C14H15OP and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
PubChem CID134407070
Molecular FormulaC14H15OP
Molecular Weight230.25 g/mol
Exact Mass230.09
IUPAC Name3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
SMILESCP(=O)(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C14H15OP/c1-16(15,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-12H,3H2,1H3
InChIKeySSPLUJJDAZWEPM-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene?
The IUPAC name of 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene (CID 134407070) is 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene?
The canonical SMILES for 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene is CP(=O)(C1=CC=CCC=C1)c1ccccc1.
What is the InChIKey of 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene?
The InChIKey is SSPLUJJDAZWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OP/c1-16(15,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-12H,3H2,1H3.
What are the key properties of 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene?
3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene has a molecular weight of 230.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 134407070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).