1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene

C9H12ClO2P — CID 71670381

IUPAC1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
SMILESCCc1ccc(OP(C)(=O)Cl)cc1
InChIInChI=1S/C9H12ClO2P/c1-3-8-4-6-9(7-5-8)12-13(2,10)11/h4-7H,3H2,1-2H3
InChIKeyNLJHFSZOYWBHQQ-UHFFFAOYSA-N
MW218.62 g/mol
LogP3.69
Rot. Bonds3

About 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene

1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene (PubChem CID 71670381) has the molecular formula C9H12ClO2P and a molecular weight of 218.62 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
PubChem CID71670381
Molecular FormulaC9H12ClO2P
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
SMILESCCc1ccc(OP(C)(=O)Cl)cc1
InChIInChI=1S/C9H12ClO2P/c1-3-8-4-6-9(7-5-8)12-13(2,10)11/h4-7H,3H2,1-2H3
InChIKeyNLJHFSZOYWBHQQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860169
1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
CID 174775816
2,5-dichloro-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860108
bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
CID 162747363
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
CID 87156122
1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
CID 139754036
1-(bromomethyl)-4-dimethylphosphoryloxybenzene
CID 162183478
N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
CID 25316246
3-bromo-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11861782
1,4-diethylbenzene;oxoalumane
CID 174317758
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene?
The IUPAC name of 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene (CID 71670381) is 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene is CCc1ccc(OP(C)(=O)Cl)cc1.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene?
The InChIKey is NLJHFSZOYWBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO2P/c1-3-8-4-6-9(7-5-8)12-13(2,10)11/h4-7H,3H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene?
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene has a molecular weight of 218.62 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene is sourced from PubChem (CID 71670381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).