[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate

C34H31O4P — CID 68743374

IUPAC[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate
SMILESCC(C)C(OP(=O)(O)Oc1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C34H31O4P/c1-26(2)34(38-39(35,36)37-29-20-10-5-11-21-29,32-24-14-12-22-30(32)27-16-6-3-7-17-27)33-25-15-13-23-31(33)28-18-8-4-9-19-28/h3-26H,1-2H3,(H,35,36)
InChIKeyGFAPPWSDNIRQFV-UHFFFAOYSA-N
MW534.59 g/mol
LogP9.12
Rot. Bonds9

About [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate

[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate (PubChem CID 68743374) has the molecular formula C34H31O4P and a molecular weight of 534.59 g/mol. Its IUPAC name is [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate
PubChem CID68743374
Molecular FormulaC34H31O4P
Molecular Weight534.59 g/mol
Exact Mass534.20
IUPAC Name[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate
SMILESCC(C)C(OP(=O)(O)Oc1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C34H31O4P/c1-26(2)34(38-39(35,36)37-29-20-10-5-11-21-29,32-24-14-12-22-30(32)27-16-6-3-7-17-27)33-25-15-13-23-31(33)28-18-8-4-9-19-28/h3-26H,1-2H3,(H,35,36)
InChIKeyGFAPPWSDNIRQFV-UHFFFAOYSA-N
XLogP9.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.59
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate?
The IUPAC name of [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate (CID 68743374) is [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate.
What is the SMILES notation for [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate?
The canonical SMILES for [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate is CC(C)C(OP(=O)(O)Oc1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate?
The InChIKey is GFAPPWSDNIRQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31O4P/c1-26(2)34(38-39(35,36)37-29-20-10-5-11-21-29,32-24-14-12-22-30(32)27-16-6-3-7-17-27)33-25-15-13-23-31(33)28-18-8-4-9-19-28/h3-26H,1-2H3,(H,35,36).
What are the key properties of [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate?
[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate has a molecular weight of 534.59 g/mol, XLogP of 9.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate is sourced from PubChem (CID 68743374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).