1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene

C18H12Cl3OP — CID 21317798

IUPAC1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene
SMILESO=P(c1ccccc1Cl)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H12Cl3OP/c19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyGYRYNQDRCSYFRL-UHFFFAOYSA-N
MW381.63 g/mol
LogP5.29
Rot. Bonds3

About 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene

1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene (PubChem CID 21317798) has the molecular formula C18H12Cl3OP and a molecular weight of 381.63 g/mol. Its IUPAC name is 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene.

Molecular Properties

Compound Name1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene
PubChem CID21317798
Molecular FormulaC18H12Cl3OP
Molecular Weight381.63 g/mol
Exact Mass379.97
IUPAC Name1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene
SMILESO=P(c1ccccc1Cl)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H12Cl3OP/c19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyGYRYNQDRCSYFRL-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 55.29
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

bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride
CID 70448915
azane;1,2-dichlorobenzene
CID 70584322
carbon monoxide;chromium;1,2-dichlorobenzene
CID 10924039
2,7-dichlorocyclohepta-2,4,6-trien-1-one
CID 101073282
chloro bis(2-chlorophenyl) phosphate
CID 68561656
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
CID 3788110
2-chlorobenzoyl chloride;phosphoric acid
CID 174968517
[[2-[(2,6-dichlorophenyl)methyl]phenyl]-phenylphosphoryl]hydrazine
CID 158828786
(2-chlorophenyl)methylphosphonic acid
CID 23356121
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
2-chlorocyclohepta-2,4,6-trien-1-one
CID 19691

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene?
The IUPAC name of 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene (CID 21317798) is 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene.
What is the SMILES notation for 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene?
The canonical SMILES for 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene is O=P(c1ccccc1Cl)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene?
The InChIKey is GYRYNQDRCSYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3OP/c19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene?
1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene has a molecular weight of 381.63 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene is sourced from PubChem (CID 21317798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).