(4-acetamidophenoxy) dimethyl phosphate

C10H14NO6P — CID 150162176

IUPAC(4-acetamidophenoxy) dimethyl phosphate
SMILESCOP(=O)(OC)OOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H14NO6P/c1-8(12)11-9-4-6-10(7-5-9)16-17-18(13,14-2)15-3/h4-7H,1-3H3,(H,11,12)
InChIKeyFHRCNDRHOHMRTI-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.36
Rot. Bonds6

About (4-acetamidophenoxy) dimethyl phosphate

(4-acetamidophenoxy) dimethyl phosphate (PubChem CID 150162176) has the molecular formula C10H14NO6P and a molecular weight of 275.20 g/mol. Its IUPAC name is (4-acetamidophenoxy) dimethyl phosphate.

Molecular Properties

Compound Name(4-acetamidophenoxy) dimethyl phosphate
PubChem CID150162176
Molecular FormulaC10H14NO6P
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name(4-acetamidophenoxy) dimethyl phosphate
SMILESCOP(=O)(OC)OOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H14NO6P/c1-8(12)11-9-4-6-10(7-5-9)16-17-18(13,14-2)15-3/h4-7H,1-3H3,(H,11,12)
InChIKeyFHRCNDRHOHMRTI-UHFFFAOYSA-N
XLogP2.36
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
CID 88758142
bis(4-acetamidophenyl) propanedioate
CID 58435595
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenoxy) dimethyl phosphate?
The IUPAC name of (4-acetamidophenoxy) dimethyl phosphate (CID 150162176) is (4-acetamidophenoxy) dimethyl phosphate.
What is the SMILES notation for (4-acetamidophenoxy) dimethyl phosphate?
The canonical SMILES for (4-acetamidophenoxy) dimethyl phosphate is COP(=O)(OC)OOc1ccc(NC(C)=O)cc1.
What is the InChIKey of (4-acetamidophenoxy) dimethyl phosphate?
The InChIKey is FHRCNDRHOHMRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO6P/c1-8(12)11-9-4-6-10(7-5-9)16-17-18(13,14-2)15-3/h4-7H,1-3H3,(H,11,12).
What are the key properties of (4-acetamidophenoxy) dimethyl phosphate?
(4-acetamidophenoxy) dimethyl phosphate has a molecular weight of 275.20 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenoxy) dimethyl phosphate is sourced from PubChem (CID 150162176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).