[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate

C24H27O4P — CID 141416214

IUPAC[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate
SMILESCC(C)c1ccc(-c2ccc(OP(=O)(O)Oc3ccccc3)cc2)cc1C(C)C
InChIInChI=1S/C24H27O4P/c1-17(2)23-15-12-20(16-24(23)18(3)4)19-10-13-22(14-11-19)28-29(25,26)27-21-8-6-5-7-9-21/h5-18H,1-4H3,(H,25,26)
InChIKeyFPOBHSQPNONNOC-UHFFFAOYSA-N
MW410.45 g/mol
LogP7.16
Rot. Bonds7

About [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate

[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate (PubChem CID 141416214) has the molecular formula C24H27O4P and a molecular weight of 410.45 g/mol. Its IUPAC name is [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate
PubChem CID141416214
Molecular FormulaC24H27O4P
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate
SMILESCC(C)c1ccc(-c2ccc(OP(=O)(O)Oc3ccccc3)cc2)cc1C(C)C
InChIInChI=1S/C24H27O4P/c1-17(2)23-15-12-20(16-24(23)18(3)4)19-10-13-22(14-11-19)28-29(25,26)27-21-8-6-5-7-9-21/h5-18H,1-4H3,(H,25,26)
InChIKeyFPOBHSQPNONNOC-UHFFFAOYSA-N
XLogP7.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 57.16
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 [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate?
The IUPAC name of [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate (CID 141416214) is [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate.
What is the SMILES notation for [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate?
The canonical SMILES for [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate is CC(C)c1ccc(-c2ccc(OP(=O)(O)Oc3ccccc3)cc2)cc1C(C)C.
What is the InChIKey of [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate?
The InChIKey is FPOBHSQPNONNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O4P/c1-17(2)23-15-12-20(16-24(23)18(3)4)19-10-13-22(14-11-19)28-29(25,26)27-21-8-6-5-7-9-21/h5-18H,1-4H3,(H,25,26).
What are the key properties of [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate?
[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate has a molecular weight of 410.45 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate is sourced from PubChem (CID 141416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).