(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone

C19H22ClO5P — CID 70015557

IUPAC(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone
SMILESCOCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H22ClO5P/c1-13-6-5-7-15(20)18(13)19(21)26(25-11-10-22-2)17-9-8-14(23-3)12-16(17)24-4/h5-9,12H,10-11H2,1-4H3
InChIKeyPUCCFFWCUXABKE-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.19
Rot. Bonds9

About (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone

(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone (PubChem CID 70015557) has the molecular formula C19H22ClO5P and a molecular weight of 396.81 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone
PubChem CID70015557
Molecular FormulaC19H22ClO5P
Molecular Weight396.81 g/mol
Exact Mass396.09
IUPAC Name(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone
SMILESCOCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H22ClO5P/c1-13-6-5-7-15(20)18(13)19(21)26(25-11-10-22-2)17-9-8-14(23-3)12-16(17)24-4/h5-9,12H,10-11H2,1-4H3
InChIKeyPUCCFFWCUXABKE-UHFFFAOYSA-N
XLogP4.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 70014090
CID 70014090
[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 70013713
CID 70014966
CID 70014966
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
N-(2-chloro-6-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 66255339
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone?
The IUPAC name of (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone (CID 70015557) is (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone is COCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1OC.
What is the InChIKey of (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone?
The InChIKey is PUCCFFWCUXABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClO5P/c1-13-6-5-7-15(20)18(13)19(21)26(25-11-10-22-2)17-9-8-14(23-3)12-16(17)24-4/h5-9,12H,10-11H2,1-4H3.
What are the key properties of (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone?
(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone has a molecular weight of 396.81 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone is sourced from PubChem (CID 70015557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).