(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone

C17H17Cl2O3P — CID 70013626

IUPAC(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2O3P/c1-3-21-11(2)22-12-7-9-13(10-8-12)23-17(20)16-14(18)5-4-6-15(16)19/h4-11,23H,3H2,1-2H3
InChIKeyMWNMEOAVSSIOIQ-UHFFFAOYSA-N
MW371.20 g/mol
LogP4.90
Rot. Bonds7

About (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone

(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone (PubChem CID 70013626) has the molecular formula C17H17Cl2O3P and a molecular weight of 371.20 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
PubChem CID70013626
Molecular FormulaC17H17Cl2O3P
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2O3P/c1-3-21-11(2)22-12-7-9-13(10-8-12)23-17(20)16-14(18)5-4-6-15(16)19/h4-11,23H,3H2,1-2H3
InChIKeyMWNMEOAVSSIOIQ-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
CID 70016005
CID 70016005
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
CID 70014116
CID 70014116
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone (CID 70013626) is (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone is CCOC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone?
The InChIKey is MWNMEOAVSSIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2O3P/c1-3-21-11(2)22-12-7-9-13(10-8-12)23-17(20)16-14(18)5-4-6-15(16)19/h4-11,23H,3H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone?
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone has a molecular weight of 371.20 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 70013626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).