(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane

C19H19P — CID 123887097

IUPAC(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
SMILESCC1C=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3
InChIKeyFFEJTVYQPKSECY-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.25
Rot. Bonds3

About (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane

(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane (PubChem CID 123887097) has the molecular formula C19H19P and a molecular weight of 278.34 g/mol. Its IUPAC name is (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
PubChem CID123887097
Molecular FormulaC19H19P
Molecular Weight278.34 g/mol
Exact Mass278.12
IUPAC Name(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
SMILESCC1C=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3
InChIKeyFFEJTVYQPKSECY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene
CID 123994416
5,6-dimethylcyclohexa-1,3-diene
CID 564578
cyclononyl(diphenyl)phosphane
CID 70908257
ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 16689860
2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 144729781
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
ethane;triphenylphosphane
CID 90942156
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
(S)-ethyl-methyl-phenylphosphane
CID 10909914
carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)
CID 158935527

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane?
The IUPAC name of (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane (CID 123887097) is (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane.
What is the SMILES notation for (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane?
The canonical SMILES for (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane is CC1C=CC=CC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane?
The InChIKey is FFEJTVYQPKSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3.
What are the key properties of (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane?
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane has a molecular weight of 278.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane is sourced from PubChem (CID 123887097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).