1-chloro-4-dipropoxyphosphorylbenzene

C12H18ClO3P — CID 86198706

IUPAC1-chloro-4-dipropoxyphosphorylbenzene
SMILESCCCOP(=O)(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClO3P/c1-3-9-15-17(14,16-10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyOVTSEUYJEZLZLS-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.01
Rot. Bonds7

About 1-chloro-4-dipropoxyphosphorylbenzene

1-chloro-4-dipropoxyphosphorylbenzene (PubChem CID 86198706) has the molecular formula C12H18ClO3P and a molecular weight of 276.70 g/mol. Its IUPAC name is 1-chloro-4-dipropoxyphosphorylbenzene.

Molecular Properties

Compound Name1-chloro-4-dipropoxyphosphorylbenzene
PubChem CID86198706
Molecular FormulaC12H18ClO3P
Molecular Weight276.70 g/mol
Exact Mass276.07
IUPAC Name1-chloro-4-dipropoxyphosphorylbenzene
SMILESCCCOP(=O)(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClO3P/c1-3-9-15-17(14,16-10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyOVTSEUYJEZLZLS-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropoxyphosphorylbenzene
CID 11736632
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
CID 150763213
(4-chlorophenyl)-propylphosphinic acid
CID 66861527
4-di(tetradecoxy)phosphoryl-1-methylpyridin-1-ium
CID 25105250
1-chloro-4-[chloro(ethyl)phosphoryl]benzene
CID 13155233
di(tridecoxy)phosphorylbenzene
CID 87531060
ethyl 2-bis(4-chlorophenyl)phosphorylacetate
CID 1378711
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
1-butan-2-yl-4-didodecoxyphosphorylbenzene
CID 166057617
2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane
CID 13155242
barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)
CID 4098336

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-dipropoxyphosphorylbenzene?
The IUPAC name of 1-chloro-4-dipropoxyphosphorylbenzene (CID 86198706) is 1-chloro-4-dipropoxyphosphorylbenzene.
What is the SMILES notation for 1-chloro-4-dipropoxyphosphorylbenzene?
The canonical SMILES for 1-chloro-4-dipropoxyphosphorylbenzene is CCCOP(=O)(OCCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-dipropoxyphosphorylbenzene?
The InChIKey is OVTSEUYJEZLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClO3P/c1-3-9-15-17(14,16-10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-chloro-4-dipropoxyphosphorylbenzene?
1-chloro-4-dipropoxyphosphorylbenzene has a molecular weight of 276.70 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-dipropoxyphosphorylbenzene is sourced from PubChem (CID 86198706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).