(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone

C17H18ClO3P — CID 18514206

IUPAC(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
SMILESCCCP(=O)(C(=O)c1c(Cl)cccc1OC)c1ccccc1
InChIInChI=1S/C17H18ClO3P/c1-3-12-22(20,13-8-5-4-6-9-13)17(19)16-14(18)10-7-11-15(16)21-2/h4-11H,3,12H2,1-2H3
InChIKeyUONHYMWOHOWIIN-UHFFFAOYSA-N
MW336.75 g/mol
LogP4.59
Rot. Bonds6

About (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone

(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone (PubChem CID 18514206) has the molecular formula C17H18ClO3P and a molecular weight of 336.75 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
PubChem CID18514206
Molecular FormulaC17H18ClO3P
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
SMILESCCCP(=O)(C(=O)c1c(Cl)cccc1OC)c1ccccc1
InChIInChI=1S/C17H18ClO3P/c1-3-12-22(20,13-8-5-4-6-9-13)17(19)16-14(18)10-7-11-15(16)21-2/h4-11H,3,12H2,1-2H3
InChIKeyUONHYMWOHOWIIN-UHFFFAOYSA-N
XLogP4.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 54.59
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

pentyl 2-[(2-chloro-6-methoxybenzoyl)-phenylphosphoryl]acetate
CID 172720574
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
CID 139438356
propan-2-yl 3-[(2-chloro-6-methylbenzoyl)-phenylphosphoryl]propanoate
CID 172747267
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 159912845
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
CID 18514546

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone (CID 18514206) is (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone is CCCP(=O)(C(=O)c1c(Cl)cccc1OC)c1ccccc1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone?
The InChIKey is UONHYMWOHOWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClO3P/c1-3-12-22(20,13-8-5-4-6-9-13)17(19)16-14(18)10-7-11-15(16)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone?
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone has a molecular weight of 336.75 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone is sourced from PubChem (CID 18514206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).