(2-benzyl-6-phenylphenyl) dihydrogen phosphate

C19H17O4P — CID 141022592

IUPAC(2-benzyl-6-phenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(Cc2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H17O4P/c20-24(21,22)23-19-17(14-15-8-3-1-4-9-15)12-7-13-18(19)16-10-5-2-6-11-16/h1-13H,14H2,(H2,20,21,22)
InChIKeyRNQCTZRVSPFYRN-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.42
Rot. Bonds5

About (2-benzyl-6-phenylphenyl) dihydrogen phosphate

(2-benzyl-6-phenylphenyl) dihydrogen phosphate (PubChem CID 141022592) has the molecular formula C19H17O4P and a molecular weight of 340.32 g/mol. Its IUPAC name is (2-benzyl-6-phenylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-benzyl-6-phenylphenyl) dihydrogen phosphate
PubChem CID141022592
Molecular FormulaC19H17O4P
Molecular Weight340.32 g/mol
Exact Mass340.09
IUPAC Name(2-benzyl-6-phenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(Cc2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H17O4P/c20-24(21,22)23-19-17(14-15-8-3-1-4-9-15)12-7-13-18(19)16-10-5-2-6-11-16/h1-13H,14H2,(H2,20,21,22)
InChIKeyRNQCTZRVSPFYRN-UHFFFAOYSA-N
XLogP4.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(2-benzyl-6-phenylphenyl) but-2-ynyl carbonate
CID 121311454
bis(2-chloro-6-phenylphenyl) hydrogen phosphate
CID 154298081
bis[4-(2-benzyl-6-phenylphenyl)phenyl] carbonate
CID 141423596
2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158668516
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
benzylbenzene;phosphoric acid
CID 161249494
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
CID 10003019
(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
CID 141077100
[2-benzyl-6-(hydroxymethyl)phenyl] benzoate
CID 169221968

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6-phenylphenyl) dihydrogen phosphate?
The IUPAC name of (2-benzyl-6-phenylphenyl) dihydrogen phosphate (CID 141022592) is (2-benzyl-6-phenylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-benzyl-6-phenylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-benzyl-6-phenylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1c(Cc2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2-benzyl-6-phenylphenyl) dihydrogen phosphate?
The InChIKey is RNQCTZRVSPFYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O4P/c20-24(21,22)23-19-17(14-15-8-3-1-4-9-15)12-7-13-18(19)16-10-5-2-6-11-16/h1-13H,14H2,(H2,20,21,22).
What are the key properties of (2-benzyl-6-phenylphenyl) dihydrogen phosphate?
(2-benzyl-6-phenylphenyl) dihydrogen phosphate has a molecular weight of 340.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6-phenylphenyl) dihydrogen phosphate is sourced from PubChem (CID 141022592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).