(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone

C19H21Cl2O4P — CID 70014873

IUPAC(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1ccccc1PC(=O)c1c(Cl)cc(OCC)cc1Cl
InChIInChI=1S/C19H21Cl2O4P/c1-3-23-9-10-25-16-7-5-6-8-17(16)26-19(22)18-14(20)11-13(24-4-2)12-15(18)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3
InChIKeyXUAPYLIWKFQFMI-UHFFFAOYSA-N
MW415.25 g/mol
LogP4.95
Rot. Bonds10

About (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone

(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone (PubChem CID 70014873) has the molecular formula C19H21Cl2O4P and a molecular weight of 415.25 g/mol. Its IUPAC name is (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
PubChem CID70014873
Molecular FormulaC19H21Cl2O4P
Molecular Weight415.25 g/mol
Exact Mass414.06
IUPAC Name(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1ccccc1PC(=O)c1c(Cl)cc(OCC)cc1Cl
InChIInChI=1S/C19H21Cl2O4P/c1-3-23-9-10-25-16-7-5-6-8-17(16)26-19(22)18-14(20)11-13(24-4-2)12-15(18)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3
InChIKeyXUAPYLIWKFQFMI-UHFFFAOYSA-N
XLogP4.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone
CID 18514642
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
CID 173244560
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
CID 70013385
CID 70013385
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone (CID 70014873) is (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone is CCOCCOc1ccccc1PC(=O)c1c(Cl)cc(OCC)cc1Cl.
What is the InChIKey of (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The InChIKey is XUAPYLIWKFQFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2O4P/c1-3-23-9-10-25-16-7-5-6-8-17(16)26-19(22)18-14(20)11-13(24-4-2)12-15(18)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3.
What are the key properties of (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone has a molecular weight of 415.25 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 70014873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).