Bis(isopropylphenyl) phenyl phosphate

C24H27O4P — CID 34149

IUPACphenyl bis(2-propan-2-ylphenyl) phosphate
SMILESCC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C
InChIInChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3
InChIKeyRMNODSGCFHVNDC-UHFFFAOYSA-N
MW410.40 g/mol
LogP7.20
Rot. Bonds8

About Bis(isopropylphenyl) phenyl phosphate

Bis(isopropylphenyl) phenyl phosphate (PubChem CID 34149) has the molecular formula C24H27O4P and a molecular weight of 410.40 g/mol. Its IUPAC name is phenyl bis(2-propan-2-ylphenyl) phosphate.

Molecular Properties

Compound NameBis(isopropylphenyl) phenyl phosphate
PubChem CID34149
Molecular FormulaC24H27O4P
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Namephenyl bis(2-propan-2-ylphenyl) phosphate
SMILESCC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C
InChIInChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3
InChIKeyRMNODSGCFHVNDC-UHFFFAOYSA-N
XLogP7.20
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity495

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl diphenyl phosphate
CID 14716
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Fosfestrol
CID 3032325
Tri-m-cresyl phosphate
CID 11232
Monocresyl diphenyl phosphate
CID 6528
Tri-p-cresyl phosphate
CID 6529
Tris(3,5-xylenyl)phosphate
CID 33133
Tris(nonylphenyl)phosphite
CID 76452
Trixylenyl phosphate
CID 19736
Tris(p-t-butylphenyl) phosphate
CID 6530
Isodecyl diphenyl phosphate
CID 34697

Frequently Asked Questions

What is the IUPAC name of Bis(isopropylphenyl) phenyl phosphate?
The IUPAC name of Bis(isopropylphenyl) phenyl phosphate (CID 34149) is phenyl bis(2-propan-2-ylphenyl) phosphate.
What is the SMILES notation for Bis(isopropylphenyl) phenyl phosphate?
The canonical SMILES for Bis(isopropylphenyl) phenyl phosphate is CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C.
What is the InChIKey of Bis(isopropylphenyl) phenyl phosphate?
The InChIKey is RMNODSGCFHVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3.
What are the key properties of Bis(isopropylphenyl) phenyl phosphate?
Bis(isopropylphenyl) phenyl phosphate has a molecular weight of 410.40 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(isopropylphenyl) phenyl phosphate is sourced from PubChem (CID 34149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).