[chloromethyl(methoxy)phosphoryl]benzene

C8H10ClO2P — CID 59938019

IUPAC[chloromethyl(methoxy)phosphoryl]benzene
SMILESCOP(=O)(CCl)c1ccccc1
InChIInChI=1S/C8H10ClO2P/c1-11-12(10,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyFUWDCIGRGRDAAW-UHFFFAOYSA-N
MW204.59 g/mol
LogP2.43
Rot. Bonds3

About [chloromethyl(methoxy)phosphoryl]benzene

[chloromethyl(methoxy)phosphoryl]benzene (PubChem CID 59938019) has the molecular formula C8H10ClO2P and a molecular weight of 204.59 g/mol. Its IUPAC name is [chloromethyl(methoxy)phosphoryl]benzene.

Molecular Properties

Compound Name[chloromethyl(methoxy)phosphoryl]benzene
PubChem CID59938019
Molecular FormulaC8H10ClO2P
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name[chloromethyl(methoxy)phosphoryl]benzene
SMILESCOP(=O)(CCl)c1ccccc1
InChIInChI=1S/C8H10ClO2P/c1-11-12(10,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyFUWDCIGRGRDAAW-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-bromoethyl(methoxy)phosphoryl]benzene
CID 101393723
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
bis(1-chloropropan-2-yloxy)phosphorylbenzene
CID 141448339
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
potassium methoxy(phenyl)phosphinate
CID 141246459
[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
CID 89462297
butyl 3-[methoxy(phenyl)phosphoryl]propanoate
CID 139662468
cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
CID 101016688
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923
[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol
CID 141234642

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(methoxy)phosphoryl]benzene?
The IUPAC name of [chloromethyl(methoxy)phosphoryl]benzene (CID 59938019) is [chloromethyl(methoxy)phosphoryl]benzene.
What is the SMILES notation for [chloromethyl(methoxy)phosphoryl]benzene?
The canonical SMILES for [chloromethyl(methoxy)phosphoryl]benzene is COP(=O)(CCl)c1ccccc1.
What is the InChIKey of [chloromethyl(methoxy)phosphoryl]benzene?
The InChIKey is FUWDCIGRGRDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO2P/c1-11-12(10,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of [chloromethyl(methoxy)phosphoryl]benzene?
[chloromethyl(methoxy)phosphoryl]benzene has a molecular weight of 204.59 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(methoxy)phosphoryl]benzene is sourced from PubChem (CID 59938019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).