1-chloro-4-(diphenylphosphorylmethyl)benzene

C19H16ClOP — CID 14941259

IUPAC1-chloro-4-(diphenylphosphorylmethyl)benzene
SMILESO=P(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClOP/c20-17-13-11-16(12-14-17)15-22(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyLXRSLSZXSMWAFT-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.85
Rot. Bonds4

About 1-chloro-4-(diphenylphosphorylmethyl)benzene

1-chloro-4-(diphenylphosphorylmethyl)benzene (PubChem CID 14941259) has the molecular formula C19H16ClOP and a molecular weight of 326.76 g/mol. Its IUPAC name is 1-chloro-4-(diphenylphosphorylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(diphenylphosphorylmethyl)benzene
PubChem CID14941259
Molecular FormulaC19H16ClOP
Molecular Weight326.76 g/mol
Exact Mass326.06
IUPAC Name1-chloro-4-(diphenylphosphorylmethyl)benzene
SMILESO=P(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClOP/c20-17-13-11-16(12-14-17)15-22(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyLXRSLSZXSMWAFT-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.85
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-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-[[cyclohexa-1,5-dien-1-yl(phenyl)phosphoryl]methyl]-4-(diphenylphosphorylmethyl)benzene
CID 147580764
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
CID 132942198
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
2,5-bis(diphenylphosphorylmethyl)-1H-pyrrole
CID 102311609
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
CID 11089901
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719
1-[2-[4-(diphenylphosphorylmethyl)phenoxy]ethyl]pyrrolidine
CID 138377299
2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
CID 10952532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(diphenylphosphorylmethyl)benzene?
The IUPAC name of 1-chloro-4-(diphenylphosphorylmethyl)benzene (CID 14941259) is 1-chloro-4-(diphenylphosphorylmethyl)benzene.
What is the SMILES notation for 1-chloro-4-(diphenylphosphorylmethyl)benzene?
The canonical SMILES for 1-chloro-4-(diphenylphosphorylmethyl)benzene is O=P(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-(diphenylphosphorylmethyl)benzene?
The InChIKey is LXRSLSZXSMWAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClOP/c20-17-13-11-16(12-14-17)15-22(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2.
What are the key properties of 1-chloro-4-(diphenylphosphorylmethyl)benzene?
1-chloro-4-(diphenylphosphorylmethyl)benzene has a molecular weight of 326.76 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(diphenylphosphorylmethyl)benzene is sourced from PubChem (CID 14941259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).