1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one

C19H20ClO3P — CID 70014406

IUPAC1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one
SMILESCOc1cccc(Cl)c1C(=O)C(CC(C)C)(P=O)c1ccccc1
InChIInChI=1S/C19H20ClO3P/c1-13(2)12-19(24-22,14-8-5-4-6-9-14)18(21)17-15(20)10-7-11-16(17)23-3/h4-11,13H,12H2,1-3H3
InChIKeyCMCWOXYIWCLVMK-UHFFFAOYSA-N
MW362.79 g/mol
LogP5.76
Rot. Bonds7

About 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one

1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one (PubChem CID 70014406) has the molecular formula C19H20ClO3P and a molecular weight of 362.79 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one
PubChem CID70014406
Molecular FormulaC19H20ClO3P
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one
SMILESCOc1cccc(Cl)c1C(=O)C(CC(C)C)(P=O)c1ccccc1
InChIInChI=1S/C19H20ClO3P/c1-13(2)12-19(24-22,14-8-5-4-6-9-14)18(21)17-15(20)10-7-11-16(17)23-3/h4-11,13H,12H2,1-3H3
InChIKeyCMCWOXYIWCLVMK-UHFFFAOYSA-N
XLogP5.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.79
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,6-dimethoxyphenyl)-2-phenyl-2-phosphorosopropane-1,3-dione
CID 66687456
1-(2-chloro-6-methoxyphenyl)-3-methyl-2-phenyl-3-phosphorosobutan-1-one
CID 18514476
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2-benzyl-1,3-bis(2,6-dimethoxyphenyl)-2-phosphorosopropane-1,3-dione
CID 66688062
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
3-methylbutyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 161092861
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one (CID 70014406) is 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one is COc1cccc(Cl)c1C(=O)C(CC(C)C)(P=O)c1ccccc1.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one?
The InChIKey is CMCWOXYIWCLVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClO3P/c1-13(2)12-19(24-22,14-8-5-4-6-9-14)18(21)17-15(20)10-7-11-16(17)23-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one?
1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one has a molecular weight of 362.79 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-4-methyl-2-phenyl-2-phosphorosopentan-1-one is sourced from PubChem (CID 70014406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).