[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone

C25H35O5P — CID 18513930

IUPAC[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCOC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OC(C)OC)c1
InChIInChI=1S/C25H35O5P/c1-15-12-19(25(5,6)7)13-16(2)23(15)24(26)31-22-11-10-20(29-17(3)27-8)14-21(22)30-18(4)28-9/h10-14,17-18,31H,1-9H3
InChIKeyFHIRYEYRKKAFGG-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.49
Rot. Bonds9

About [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone

[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone (PubChem CID 18513930) has the molecular formula C25H35O5P and a molecular weight of 446.52 g/mol. Its IUPAC name is [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
PubChem CID18513930
Molecular FormulaC25H35O5P
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCOC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OC(C)OC)c1
InChIInChI=1S/C25H35O5P/c1-15-12-19(25(5,6)7)13-16(2)23(15)24(26)31-22-11-10-20(29-17(3)27-8)14-21(22)30-18(4)28-9/h10-14,17-18,31H,1-9H3
InChIKeyFHIRYEYRKKAFGG-UHFFFAOYSA-N
XLogP5.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

CID 70015545
CID 70015545
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
CID 70014312
CID 70014312
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
[2,6-bis(trifluoromethyl)phenyl]-[4-(1-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 173244485
CID 70014778
CID 70014778
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The IUPAC name of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone (CID 18513930) is [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone.
What is the SMILES notation for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The canonical SMILES for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone is COC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OC(C)OC)c1.
What is the InChIKey of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The InChIKey is FHIRYEYRKKAFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O5P/c1-15-12-19(25(5,6)7)13-16(2)23(15)24(26)31-22-11-10-20(29-17(3)27-8)14-21(22)30-18(4)28-9/h10-14,17-18,31H,1-9H3.
What are the key properties of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone has a molecular weight of 446.52 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18513930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).