1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene

C16H19OP — CID 100916039

IUPAC1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
SMILESCc1ccc(P(=O)(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C16H19OP/c1-13(2)18(17,15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-13H,1-3H3
InChIKeyBPZVANVXPUXCLF-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.72
Rot. Bonds3

About 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene

1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene (PubChem CID 100916039) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene.

Molecular Properties

Compound Name1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
PubChem CID100916039
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
SMILESCc1ccc(P(=O)(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C16H19OP/c1-13(2)18(17,15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-13H,1-3H3
InChIKeyBPZVANVXPUXCLF-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
phenylphosphonic acid;toluene
CID 174457204
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
benzene;bis(1,4-xylene)
CID 159472747
4-diphenylphosphorylpentan-2-one
CID 13202508
[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium
CID 23415394
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine
CID 156786608

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene?
The IUPAC name of 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene (CID 100916039) is 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene.
What is the SMILES notation for 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene?
The canonical SMILES for 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene is Cc1ccc(P(=O)(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene?
The InChIKey is BPZVANVXPUXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c1-13(2)18(17,15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-13H,1-3H3.
What are the key properties of 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene?
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene has a molecular weight of 258.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene is sourced from PubChem (CID 100916039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).