CID 157152357

C22H22O3P2 — CID 157152357

IUPAC—
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.[3H]P=O
InChIInChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H/i;2T
InChIKeyALKDRCGHORMULG-IIVVCMKJSA-N
MW398.37 g/mol
LogP5.24
Rot. Bonds4

About CID 157152357

CID 157152357 (PubChem CID 157152357) has the molecular formula C22H22O3P2 and a molecular weight of 398.37 g/mol.

Molecular Properties

Compound NameCID 157152357
PubChem CID157152357
Molecular FormulaC22H22O3P2
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name—
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.[3H]P=O
InChIInChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H/i;2T
InChIKeyALKDRCGHORMULG-IIVVCMKJSA-N
XLogP5.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 146792739

Frequently Asked Questions

What is the IUPAC name of CID 157152357?
The IUPAC name of CID 157152357 (CID 157152357) is not available.
What is the SMILES notation for CID 157152357?
The canonical SMILES for CID 157152357 is Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.[3H]P=O.
What is the InChIKey of CID 157152357?
The InChIKey is ALKDRCGHORMULG-IIVVCMKJSA-N. The full InChI is InChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H/i;2T.
What are the key properties of CID 157152357?
CID 157152357 has a molecular weight of 398.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157152357 is sourced from PubChem (CID 157152357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).