(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate

C11H16ClO5P — CID 10803784

IUPAC(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
SMILESCOP(=O)(OC)OC(CCl)COc1ccccc1
InChIInChI=1S/C11H16ClO5P/c1-14-18(13,15-2)17-11(8-12)9-16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyGWSLMTPXYPZIFB-UHFFFAOYSA-N
MW294.67 g/mol
LogP3.09
Rot. Bonds8

About (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate

(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate (PubChem CID 10803784) has the molecular formula C11H16ClO5P and a molecular weight of 294.67 g/mol. Its IUPAC name is (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate.

Molecular Properties

Compound Name(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
PubChem CID10803784
Molecular FormulaC11H16ClO5P
Molecular Weight294.67 g/mol
Exact Mass294.04
IUPAC Name(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
SMILESCOP(=O)(OC)OC(CCl)COc1ccccc1
InChIInChI=1S/C11H16ClO5P/c1-14-18(13,15-2)17-11(8-12)9-16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyGWSLMTPXYPZIFB-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-chloro-3-(2-methoxyphenoxy)propan-2-yl] dimethyl phosphate
CID 102006009
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
CID 21023120
(1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
CID 3048741
3,3-bis(dimethoxyphosphoryl)propoxybenzene
CID 10215479
(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane
CID 70549768
dimethoxyphosphoryl 2-phenoxyacetate
CID 151330688
1-phenoxydecan-2-yl dihydrogen phosphate
CID 122612592
[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate
CID 177451805
[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
CID 27161633
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
2-phosphorosooxybutoxybenzene
CID 175007950
1-phenoxypropan-2-yl 2-phenoxypropyl hydrogen phosphate
CID 21023123

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate?
The IUPAC name of (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate (CID 10803784) is (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate.
What is the SMILES notation for (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate?
The canonical SMILES for (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate is COP(=O)(OC)OC(CCl)COc1ccccc1.
What is the InChIKey of (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate?
The InChIKey is GWSLMTPXYPZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClO5P/c1-14-18(13,15-2)17-11(8-12)9-16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate?
(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate has a molecular weight of 294.67 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate is sourced from PubChem (CID 10803784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).