1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene

C14H13Cl2O2P — CID 23280250

IUPAC1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
SMILESCCOP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2O2P/c1-2-18-19(17,13-7-3-11(15)4-8-13)14-9-5-12(16)6-10-14/h3-10H,2H2,1H3
InChIKeyKEAGLTKJQFSRGT-UHFFFAOYSA-N
MW315.14 g/mol
LogP4.26
Rot. Bonds4

About 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene

1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene (PubChem CID 23280250) has the molecular formula C14H13Cl2O2P and a molecular weight of 315.14 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
PubChem CID23280250
Molecular FormulaC14H13Cl2O2P
Molecular Weight315.14 g/mol
Exact Mass314.00
IUPAC Name1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
SMILESCCOP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2O2P/c1-2-18-19(17,13-7-3-11(15)4-8-13)14-9-5-12(16)6-10-14/h3-10H,2H2,1H3
InChIKeyKEAGLTKJQFSRGT-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane
CID 13155242
1-chloro-4-[chloro(ethyl)phosphoryl]benzene
CID 13155233
1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
CID 102104724
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
(1R)-1-(4-chlorophenyl)-1-diethoxyphosphorylethanamine
CID 74762983
ethyl 2-bis(4-chlorophenyl)phosphorylacetate
CID 1378711

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene (CID 23280250) is 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene is CCOP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene?
The InChIKey is KEAGLTKJQFSRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2O2P/c1-2-18-19(17,13-7-3-11(15)4-8-13)14-9-5-12(16)6-10-14/h3-10H,2H2,1H3.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene?
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene has a molecular weight of 315.14 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene is sourced from PubChem (CID 23280250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).