1-methyl-2-phenylbenzene;phosphoric acid

C13H15O4P — CID 159087333

IUPAC1-methyl-2-phenylbenzene;phosphoric acid
SMILESCc1ccccc1-c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C13H12.H3O4P/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-5(2,3)4/h2-10H,1H3;(H3,1,2,3,4)
InChIKeyKBPKJOCCGZVYGS-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.73
Rot. Bonds1

About 1-methyl-2-phenylbenzene;phosphoric acid

1-methyl-2-phenylbenzene;phosphoric acid (PubChem CID 159087333) has the molecular formula C13H15O4P and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-methyl-2-phenylbenzene;phosphoric acid.

Molecular Properties

Compound Name1-methyl-2-phenylbenzene;phosphoric acid
PubChem CID159087333
Molecular FormulaC13H15O4P
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name1-methyl-2-phenylbenzene;phosphoric acid
SMILESCc1ccccc1-c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C13H12.H3O4P/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-5(2,3)4/h2-10H,1H3;(H3,1,2,3,4)
InChIKeyKBPKJOCCGZVYGS-UHFFFAOYSA-N
XLogP2.73
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylbenzene;phosphoric acid?
The IUPAC name of 1-methyl-2-phenylbenzene;phosphoric acid (CID 159087333) is 1-methyl-2-phenylbenzene;phosphoric acid.
What is the SMILES notation for 1-methyl-2-phenylbenzene;phosphoric acid?
The canonical SMILES for 1-methyl-2-phenylbenzene;phosphoric acid is Cc1ccccc1-c1ccccc1.O=P(O)(O)O.
What is the InChIKey of 1-methyl-2-phenylbenzene;phosphoric acid?
The InChIKey is KBPKJOCCGZVYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.H3O4P/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-5(2,3)4/h2-10H,1H3;(H3,1,2,3,4).
What are the key properties of 1-methyl-2-phenylbenzene;phosphoric acid?
1-methyl-2-phenylbenzene;phosphoric acid has a molecular weight of 266.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylbenzene;phosphoric acid is sourced from PubChem (CID 159087333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).