[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

C23H25O2P — CID 146792739

IUPAC[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C2=CC(C)CC=C2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H25O2P/c1-16-9-8-12-21(15-16)26(25,20-10-6-5-7-11-20)23(24)22-18(3)13-17(2)14-19(22)4/h5-8,10-16H,9H2,1-4H3
InChIKeyRWDRZBULRCEPSO-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.92
Rot. Bonds4

About [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 146792739) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID146792739
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Name[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C2=CC(C)CC=C2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H25O2P/c1-16-9-8-12-21(15-16)26(25,20-10-6-5-7-11-20)23(24)22-18(3)13-17(2)14-19(22)4/h5-8,10-16H,9H2,1-4H3
InChIKeyRWDRZBULRCEPSO-UHFFFAOYSA-N
XLogP5.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
CID 157152357
CID 157152357
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024

Frequently Asked Questions

What is the IUPAC name of [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 146792739) is [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(C2=CC(C)CC=C2)c2ccccc2)c(C)c1.
What is the InChIKey of [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is RWDRZBULRCEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2P/c1-16-9-8-12-21(15-16)26(25,20-10-6-5-7-11-20)23(24)22-18(3)13-17(2)14-19(22)4/h5-8,10-16H,9H2,1-4H3.
What are the key properties of [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 364.43 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 146792739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).