1-benzyl-4-(4-phosphorosooxyphenyl)benzene

C19H15O2P — CID 174837402

IUPAC1-benzyl-4-(4-phosphorosooxyphenyl)benzene
SMILESO=POc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15O2P/c20-22-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyRMJJKERHMVXZPS-UHFFFAOYSA-N
MW306.30 g/mol
LogP5.53
Rot. Bonds5

About 1-benzyl-4-(4-phosphorosooxyphenyl)benzene

1-benzyl-4-(4-phosphorosooxyphenyl)benzene (PubChem CID 174837402) has the molecular formula C19H15O2P and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-benzyl-4-(4-phosphorosooxyphenyl)benzene.

Molecular Properties

Compound Name1-benzyl-4-(4-phosphorosooxyphenyl)benzene
PubChem CID174837402
Molecular FormulaC19H15O2P
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name1-benzyl-4-(4-phosphorosooxyphenyl)benzene
SMILESO=POc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15O2P/c20-22-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyRMJJKERHMVXZPS-UHFFFAOYSA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
CID 66709852
CID 66709852
alumane;1-ethyl-4-phosphorosooxybenzene
CID 175477629
(4-benzylphenoxy) thiohypofluorite
CID 178117006
phenyl(113C)methylbenzene
CID 11194569
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
4-(4-benzylphenyl)pyridine
CID 174553937
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-phosphorosooxyphenyl)benzene?
The IUPAC name of 1-benzyl-4-(4-phosphorosooxyphenyl)benzene (CID 174837402) is 1-benzyl-4-(4-phosphorosooxyphenyl)benzene.
What is the SMILES notation for 1-benzyl-4-(4-phosphorosooxyphenyl)benzene?
The canonical SMILES for 1-benzyl-4-(4-phosphorosooxyphenyl)benzene is O=POc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-phosphorosooxyphenyl)benzene?
The InChIKey is RMJJKERHMVXZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O2P/c20-22-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of 1-benzyl-4-(4-phosphorosooxyphenyl)benzene?
1-benzyl-4-(4-phosphorosooxyphenyl)benzene has a molecular weight of 306.30 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-phosphorosooxyphenyl)benzene is sourced from PubChem (CID 174837402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).