[(2-methylphenyl)-phenylmethyl]phosphonic acid

C14H15O3P — CID 22988798

IUPAC[(2-methylphenyl)-phenylmethyl]phosphonic acid
SMILESCc1ccccc1C(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C14H15O3P/c1-11-7-5-6-10-13(11)14(18(15,16)17)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,15,16,17)
InChIKeyIQUGVYDMGPYRSD-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.26
Rot. Bonds3

About [(2-methylphenyl)-phenylmethyl]phosphonic acid

[(2-methylphenyl)-phenylmethyl]phosphonic acid (PubChem CID 22988798) has the molecular formula C14H15O3P and a molecular weight of 262.25 g/mol. Its IUPAC name is [(2-methylphenyl)-phenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-methylphenyl)-phenylmethyl]phosphonic acid
PubChem CID22988798
Molecular FormulaC14H15O3P
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name[(2-methylphenyl)-phenylmethyl]phosphonic acid
SMILESCc1ccccc1C(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C14H15O3P/c1-11-7-5-6-10-13(11)14(18(15,16)17)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,15,16,17)
InChIKeyIQUGVYDMGPYRSD-UHFFFAOYSA-N
XLogP3.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
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 [(2-methylphenyl)-phenylmethyl]phosphonic acid?
The IUPAC name of [(2-methylphenyl)-phenylmethyl]phosphonic acid (CID 22988798) is [(2-methylphenyl)-phenylmethyl]phosphonic acid.
What is the SMILES notation for [(2-methylphenyl)-phenylmethyl]phosphonic acid?
The canonical SMILES for [(2-methylphenyl)-phenylmethyl]phosphonic acid is Cc1ccccc1C(c1ccccc1)P(=O)(O)O.
What is the InChIKey of [(2-methylphenyl)-phenylmethyl]phosphonic acid?
The InChIKey is IQUGVYDMGPYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O3P/c1-11-7-5-6-10-13(11)14(18(15,16)17)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,15,16,17).
What are the key properties of [(2-methylphenyl)-phenylmethyl]phosphonic acid?
[(2-methylphenyl)-phenylmethyl]phosphonic acid has a molecular weight of 262.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenyl)-phenylmethyl]phosphonic acid is sourced from PubChem (CID 22988798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).