(4-fluoro-3-methylphenyl) dipropyl phosphate

C13H20FO4P — CID 118592987

IUPAC(4-fluoro-3-methylphenyl) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)Oc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FO4P/c1-4-8-16-19(15,17-9-5-2)18-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyGKCMRWFKOHMJAU-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.47
Rot. Bonds8

About (4-fluoro-3-methylphenyl) dipropyl phosphate

(4-fluoro-3-methylphenyl) dipropyl phosphate (PubChem CID 118592987) has the molecular formula C13H20FO4P and a molecular weight of 290.27 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl) dipropyl phosphate.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl) dipropyl phosphate
PubChem CID118592987
Molecular FormulaC13H20FO4P
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name(4-fluoro-3-methylphenyl) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)Oc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FO4P/c1-4-8-16-19(15,17-9-5-2)18-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyGKCMRWFKOHMJAU-UHFFFAOYSA-N
XLogP4.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methylphenyl) diethyl phosphate
CID 118592997
[4-(disulfanyl)phenyl] dipropyl phosphate
CID 88748446
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
CID 91711632
(4-fluoro-3-methylphenyl) propanoate
CID 118592846
butyl 4-fluoro-3-methylbenzoate
CID 63297434
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
dibenzyl [4-[[4-bis(phenylmethoxy)phosphoryloxy-2-methylphenyl]methyl]-3-methylphenyl] phosphate
CID 54489706
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl) dipropyl phosphate?
The IUPAC name of (4-fluoro-3-methylphenyl) dipropyl phosphate (CID 118592987) is (4-fluoro-3-methylphenyl) dipropyl phosphate.
What is the SMILES notation for (4-fluoro-3-methylphenyl) dipropyl phosphate?
The canonical SMILES for (4-fluoro-3-methylphenyl) dipropyl phosphate is CCCOP(=O)(OCCC)Oc1ccc(F)c(C)c1.
What is the InChIKey of (4-fluoro-3-methylphenyl) dipropyl phosphate?
The InChIKey is GKCMRWFKOHMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FO4P/c1-4-8-16-19(15,17-9-5-2)18-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl) dipropyl phosphate?
(4-fluoro-3-methylphenyl) dipropyl phosphate has a molecular weight of 290.27 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl) dipropyl phosphate is sourced from PubChem (CID 118592987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).