(4-chloro-2-methylphenyl)-diphenylphosphane

C19H16ClP — CID 100913649

IUPAC(4-chloro-2-methylphenyl)-diphenylphosphane
SMILESCc1cc(Cl)ccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClP/c1-15-14-16(20)12-13-19(15)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3
InChIKeyWVVVOOFQZABTKO-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.41
Rot. Bonds3

About (4-chloro-2-methylphenyl)-diphenylphosphane

(4-chloro-2-methylphenyl)-diphenylphosphane (PubChem CID 100913649) has the molecular formula C19H16ClP and a molecular weight of 310.76 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-diphenylphosphane
PubChem CID100913649
Molecular FormulaC19H16ClP
Molecular Weight310.76 g/mol
Exact Mass310.07
IUPAC Name(4-chloro-2-methylphenyl)-diphenylphosphane
SMILESCc1cc(Cl)ccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClP/c1-15-14-16(20)12-13-19(15)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3
InChIKeyWVVVOOFQZABTKO-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Phosphine, tris(4-methylphenyl)-
CID 13956
Tri-o-tolylphosphine
CID 80271
Tri-m-tolylphosphine
CID 80362
Diphenyl-o-tolylphosphine
CID 80040
3,4-Dichlorobenzyltriphenylphosphonium chloride
CID 77265
(2-Chlorobenzyl)triphenylphosphonium Chloride
CID 2734112
Diphenyl-p-tolylphosphine
CID 70575
(4-Chlorobenzyl)triphenylphosphonium chloride
CID 2733546
Chloro[tri(o-tolyl)phosphine]gold(I)
CID 15397758
Chlorogold--tris(4-methylphenyl)phosphane (1/1)
CID 15820613
Chloro(diphenyl(o-tolyl)phosphine)gold(I)
CID 17757824
(2,6-Dichlorobenzyl)triphenylphosphonium chloride
CID 57370833

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-diphenylphosphane?
The IUPAC name of (4-chloro-2-methylphenyl)-diphenylphosphane (CID 100913649) is (4-chloro-2-methylphenyl)-diphenylphosphane.
What is the SMILES notation for (4-chloro-2-methylphenyl)-diphenylphosphane?
The canonical SMILES for (4-chloro-2-methylphenyl)-diphenylphosphane is Cc1cc(Cl)ccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-chloro-2-methylphenyl)-diphenylphosphane?
The InChIKey is WVVVOOFQZABTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClP/c1-15-14-16(20)12-13-19(15)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3.
What are the key properties of (4-chloro-2-methylphenyl)-diphenylphosphane?
(4-chloro-2-methylphenyl)-diphenylphosphane has a molecular weight of 310.76 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-diphenylphosphane is sourced from PubChem (CID 100913649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).