benzylbenzene;phosphoric acid

C13H15O4P — CID 161249494

IUPACbenzylbenzene;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.H3O4P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-5(2,3)4/h1-10H,11H2;(H3,1,2,3,4)
InChIKeyVBBSAWNVODCFMW-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.35
Rot. Bonds2

About benzylbenzene;phosphoric acid

benzylbenzene;phosphoric acid (PubChem CID 161249494) has the molecular formula C13H15O4P and a molecular weight of 266.23 g/mol. Its IUPAC name is benzylbenzene;phosphoric acid.

Molecular Properties

Compound Namebenzylbenzene;phosphoric acid
PubChem CID161249494
Molecular FormulaC13H15O4P
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Namebenzylbenzene;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.H3O4P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-5(2,3)4/h1-10H,11H2;(H3,1,2,3,4)
InChIKeyVBBSAWNVODCFMW-UHFFFAOYSA-N
XLogP2.35
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl(113C)methylbenzene
CID 11194569
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
potassium;benzylbenzene;hydride
CID 173011788
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
benzylbenzene;isocyanic acid
CID 172862527
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
benzylbenzene;ethane;methanamine
CID 54117827
phenol;phosphoric acid
CID 157339539
benzylbenzene;methoxymethane
CID 161110966

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;phosphoric acid?
The IUPAC name of benzylbenzene;phosphoric acid (CID 161249494) is benzylbenzene;phosphoric acid.
What is the SMILES notation for benzylbenzene;phosphoric acid?
The canonical SMILES for benzylbenzene;phosphoric acid is O=P(O)(O)O.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;phosphoric acid?
The InChIKey is VBBSAWNVODCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.H3O4P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-5(2,3)4/h1-10H,11H2;(H3,1,2,3,4).
What are the key properties of benzylbenzene;phosphoric acid?
benzylbenzene;phosphoric acid has a molecular weight of 266.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;phosphoric acid is sourced from PubChem (CID 161249494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).