(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone

C18H19Cl2O2P — CID 18513729

IUPAC(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
SMILESCC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H19Cl2O2P/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20/h3-9,12,23H,10-11H2,1-2H3
InChIKeyUVKNECCNKZPNJW-UHFFFAOYSA-N
MW369.23 g/mol
LogP5.56
Rot. Bonds7

About (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone

(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone (PubChem CID 18513729) has the molecular formula C18H19Cl2O2P and a molecular weight of 369.23 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
PubChem CID18513729
Molecular FormulaC18H19Cl2O2P
Molecular Weight369.23 g/mol
Exact Mass368.05
IUPAC Name(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
SMILESCC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H19Cl2O2P/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20/h3-9,12,23H,10-11H2,1-2H3
InChIKeyUVKNECCNKZPNJW-UHFFFAOYSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
CID 70014538
CID 70014538
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
CID 70016005
CID 70016005
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone (CID 18513729) is (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone is CC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone?
The InChIKey is UVKNECCNKZPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2O2P/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20/h3-9,12,23H,10-11H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone?
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone has a molecular weight of 369.23 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18513729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).