[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate

C21H21O4P — CID 162514642

IUPAC[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
SMILESCc1ccccc1C(OP(=O)(O)O)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C21H21O4P/c1-16-10-6-8-14-19(16)21(25-26(22,23)24,18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyPGPYWXCGFQSFLE-UHFFFAOYSA-N
MW368.37 g/mol
LogP4.70
Rot. Bonds5

About [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate

[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate (PubChem CID 162514642) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
PubChem CID162514642
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
SMILESCc1ccccc1C(OP(=O)(O)O)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C21H21O4P/c1-16-10-6-8-14-19(16)21(25-26(22,23)24,18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyPGPYWXCGFQSFLE-UHFFFAOYSA-N
XLogP4.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
2-[(2-methylphenyl)-diphenylmethoxy]ethanamine
CID 67428096
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
tris(2-methylphenyl)methoxysilane
CID 137329763
2-(2,3-dimethylphenyl)propan-2-yl phosphono hydrogen phosphate
CID 154379254
(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
CID 174732463
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
CID 151300405
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837

Frequently Asked Questions

What is the IUPAC name of [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate?
The IUPAC name of [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate (CID 162514642) is [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate.
What is the SMILES notation for [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate?
The canonical SMILES for [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate is Cc1ccccc1C(OP(=O)(O)O)(c1ccccc1)c1ccccc1C.
What is the InChIKey of [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate?
The InChIKey is PGPYWXCGFQSFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-16-10-6-8-14-19(16)21(25-26(22,23)24,18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-15H,1-2H3,(H2,22,23,24).
What are the key properties of [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate?
[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate has a molecular weight of 368.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate is sourced from PubChem (CID 162514642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).