(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone

C18H20ClO3P — CID 70014303

IUPAC(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClO3P/c1-12-5-4-6-15(19)17(12)18(20)23-16-8-7-14(11-13(16)2)22-10-9-21-3/h4-8,11,23H,9-10H2,1-3H3
InChIKeyNQHYSJIXNVJIHP-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.13
Rot. Bonds7

About (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone

(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone (PubChem CID 70014303) has the molecular formula C18H20ClO3P and a molecular weight of 350.78 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
PubChem CID70014303
Molecular FormulaC18H20ClO3P
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClO3P/c1-12-5-4-6-15(19)17(12)18(20)23-16-8-7-14(11-13(16)2)22-10-9-21-3/h4-8,11,23H,9-10H2,1-3H3
InChIKeyNQHYSJIXNVJIHP-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
CID 70013385
CID 70013385
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone?
The IUPAC name of (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone (CID 70014303) is (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone is COCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(C)c1.
What is the InChIKey of (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone?
The InChIKey is NQHYSJIXNVJIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO3P/c1-12-5-4-6-15(19)17(12)18(20)23-16-8-7-14(11-13(16)2)22-10-9-21-3/h4-8,11,23H,9-10H2,1-3H3.
What are the key properties of (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone?
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone has a molecular weight of 350.78 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone is sourced from PubChem (CID 70014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).