1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene

C10H12Cl3O2P — CID 12654708

IUPAC1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Cl)CP(=O)(Cl)Cl)cc1
InChIInChI=1S/C10H12Cl3O2P/c1-15-10-4-2-8(3-5-10)6-9(11)7-16(12,13)14/h2-5,9H,6-7H2,1H3
InChIKeyRYLLAQBAIWOVJT-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene

1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene (PubChem CID 12654708) has the molecular formula C10H12Cl3O2P and a molecular weight of 301.54 g/mol. Its IUPAC name is 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene
PubChem CID12654708
Molecular FormulaC10H12Cl3O2P
Molecular Weight301.54 g/mol
Exact Mass299.96
IUPAC Name1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Cl)CP(=O)(Cl)Cl)cc1
InChIInChI=1S/C10H12Cl3O2P/c1-15-10-4-2-8(3-5-10)6-9(11)7-16(12,13)14/h2-5,9H,6-7H2,1H3
InChIKeyRYLLAQBAIWOVJT-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.52
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

1-(2-chloro-4-methylpentyl)-4-methoxybenzene
CID 63017578
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene?
The IUPAC name of 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene (CID 12654708) is 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene is COc1ccc(CC(Cl)CP(=O)(Cl)Cl)cc1.
What is the InChIKey of 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene?
The InChIKey is RYLLAQBAIWOVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3O2P/c1-15-10-4-2-8(3-5-10)6-9(11)7-16(12,13)14/h2-5,9H,6-7H2,1H3.
What are the key properties of 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene?
1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene has a molecular weight of 301.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene is sourced from PubChem (CID 12654708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).