(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane

C21H20ClP — CID 158348439

IUPAC(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1c(C)cccc1Cl
InChIInChI=1S/C21H20ClP/c1-15-9-4-6-13-19(15)23(20-14-7-5-10-16(20)2)21-17(3)11-8-12-18(21)22/h4-14H,1-3H3
InChIKeyGSADVWIGTPQFHN-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.02
Rot. Bonds3

About (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane

(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane (PubChem CID 158348439) has the molecular formula C21H20ClP and a molecular weight of 338.82 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane
PubChem CID158348439
Molecular FormulaC21H20ClP
Molecular Weight338.82 g/mol
Exact Mass338.10
IUPAC Name(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1c(C)cccc1Cl
InChIInChI=1S/C21H20ClP/c1-15-9-4-6-13-19(15)23(20-14-7-5-10-16(20)2)21-17(3)11-8-12-18(21)22/h4-14H,1-3H3
InChIKeyGSADVWIGTPQFHN-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.02
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

bis(palladium);bis(tris(2-methylphenyl)phosphane)
CID 175817621
dichloropalladium;tris(2-methylphenyl)phosphane
CID 13170117
dichloropalladium;bis(tris(2-methylphenyl)phosphane)
CID 10876480
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
CID 66838097
CID 66838097
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
chloro-bis(2,6-dichlorophenyl)phosphane
CID 18705983
1-chloro-2-methylbenzene;ethene
CID 142088810
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
bis(2-methylphenyl)phosphinite
CID 135999862
CID 10879451
CID 10879451
CID 58850505
CID 58850505

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane?
The IUPAC name of (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane (CID 158348439) is (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane.
What is the SMILES notation for (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane?
The canonical SMILES for (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane is Cc1ccccc1P(c1ccccc1C)c1c(C)cccc1Cl.
What is the InChIKey of (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane?
The InChIKey is GSADVWIGTPQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClP/c1-15-9-4-6-13-19(15)23(20-14-7-5-10-16(20)2)21-17(3)11-8-12-18(21)22/h4-14H,1-3H3.
What are the key properties of (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane?
(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane has a molecular weight of 338.82 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 158348439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).