(4-chloro-3-methylphenyl) diethyl phosphate

C11H16ClO4P — CID 118592997

IUPAC(4-chloro-3-methylphenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClO4P/c1-4-14-17(13,15-5-2)16-10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKeyRNQUBULAQBWWOZ-UHFFFAOYSA-N
MW278.67 g/mol
LogP4.21
Rot. Bonds6

About (4-chloro-3-methylphenyl) diethyl phosphate

(4-chloro-3-methylphenyl) diethyl phosphate (PubChem CID 118592997) has the molecular formula C11H16ClO4P and a molecular weight of 278.67 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl) diethyl phosphate.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl) diethyl phosphate
PubChem CID118592997
Molecular FormulaC11H16ClO4P
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name(4-chloro-3-methylphenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClO4P/c1-4-14-17(13,15-5-2)16-10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKeyRNQUBULAQBWWOZ-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 54.21
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

[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
diethyl (4-methyl-2-oxochromen-7-yl) phosphate
CID 13477
2,1,3-benzoxadiazol-5-yl diethyl phosphate
CID 154381505
tris(3,4-dichlorophenyl) phosphate
CID 101310939
diethyl (4-formylphenyl) phosphate
CID 10539111
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
2-[2-bis(4-chloro-3-methylphenoxy)phosphorylethylamino]acetic acid
CID 88671909
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl) diethyl phosphate?
The IUPAC name of (4-chloro-3-methylphenyl) diethyl phosphate (CID 118592997) is (4-chloro-3-methylphenyl) diethyl phosphate.
What is the SMILES notation for (4-chloro-3-methylphenyl) diethyl phosphate?
The canonical SMILES for (4-chloro-3-methylphenyl) diethyl phosphate is CCOP(=O)(OCC)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenyl) diethyl phosphate?
The InChIKey is RNQUBULAQBWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClO4P/c1-4-14-17(13,15-5-2)16-10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl) diethyl phosphate?
(4-chloro-3-methylphenyl) diethyl phosphate has a molecular weight of 278.67 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl) diethyl phosphate is sourced from PubChem (CID 118592997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).