2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene

C12H18ClO2P — CID 23273213

IUPAC2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene
SMILESCCP(=O)(CC)c1ccc(OC)c(CCl)c1
InChIInChI=1S/C12H18ClO2P/c1-4-16(14,5-2)11-6-7-12(15-3)10(8-11)9-13/h6-8H,4-5,9H2,1-3H3
InChIKeyWXLVEYOGCXZXKZ-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.46
Rot. Bonds5

About 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene

2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene (PubChem CID 23273213) has the molecular formula C12H18ClO2P and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene
PubChem CID23273213
Molecular FormulaC12H18ClO2P
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene
SMILESCCP(=O)(CC)c1ccc(OC)c(CCl)c1
InChIInChI=1S/C12H18ClO2P/c1-4-16(14,5-2)11-6-7-12(15-3)10(8-11)9-13/h6-8H,4-5,9H2,1-3H3
InChIKeyWXLVEYOGCXZXKZ-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.46
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

[3-(chloromethyl)-4-methoxyphenyl]hydrazine
CID 130950896
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
[[3-(chloromethyl)-2,6-dimethoxybenzoyl]-phenylphosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 123711505
3-(chloromethyl)-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988218
2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
CID 139761498
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
S-[3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-enyl] ethanethioate
CID 169458502
4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline
CID 172536041
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
2-(chloromethyl)-4-fluoro-1-pentan-3-yloxybenzene
CID 107698824

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene?
The IUPAC name of 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene (CID 23273213) is 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene.
What is the SMILES notation for 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene?
The canonical SMILES for 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene is CCP(=O)(CC)c1ccc(OC)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene?
The InChIKey is WXLVEYOGCXZXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClO2P/c1-4-16(14,5-2)11-6-7-12(15-3)10(8-11)9-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene?
2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene has a molecular weight of 260.70 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene is sourced from PubChem (CID 23273213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).