[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone

C22H28ClO4P — CID 18514382

IUPAC[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C
InChIInChI=1S/C22H28ClO4P/c1-14(2)12-26-16-9-10-20(19(11-16)27-13-15(3)4)28-22(24)21-17(23)7-6-8-18(21)25-5/h6-11,14-15,28H,12-13H2,1-5H3
InChIKeyKGEBVJANHFXKFR-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.56
Rot. Bonds10

About [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone

[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone (PubChem CID 18514382) has the molecular formula C22H28ClO4P and a molecular weight of 422.89 g/mol. Its IUPAC name is [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
PubChem CID18514382
Molecular FormulaC22H28ClO4P
Molecular Weight422.89 g/mol
Exact Mass422.14
IUPAC Name[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C
InChIInChI=1S/C22H28ClO4P/c1-14(2)12-26-16-9-10-20(19(11-16)27-13-15(3)4)28-22(24)21-17(23)7-6-8-18(21)25-5/h6-11,14-15,28H,12-13H2,1-5H3
InChIKeyKGEBVJANHFXKFR-UHFFFAOYSA-N
XLogP5.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
CID 70012742
CID 70012742
CID 70016726
CID 70016726
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The IUPAC name of [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone (CID 18514382) is [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone.
What is the SMILES notation for [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The canonical SMILES for [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone is COc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C.
What is the InChIKey of [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The InChIKey is KGEBVJANHFXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClO4P/c1-14(2)12-26-16-9-10-20(19(11-16)27-13-15(3)4)28-22(24)21-17(23)7-6-8-18(21)25-5/h6-11,14-15,28H,12-13H2,1-5H3.
What are the key properties of [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone has a molecular weight of 422.89 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone is sourced from PubChem (CID 18514382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).