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

C25H35O5P — CID 70015718

IUPAC[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCOC)c1
InChIInChI=1S/C25H35O5P/c1-17-14-19(25(3,4)5)15-18(2)23(17)24(26)31-22-9-8-20(29-12-10-27-6)16-21(22)30-13-11-28-7/h8-9,14-16,31H,10-13H2,1-7H3
InChIKeyKDCOVBVPRUZERE-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.80
Rot. Bonds11

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

[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone (PubChem CID 70015718) has the molecular formula C25H35O5P and a molecular weight of 446.52 g/mol. Its IUPAC name is [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
PubChem CID70015718
Molecular FormulaC25H35O5P
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCOC)c1
InChIInChI=1S/C25H35O5P/c1-17-14-19(25(3,4)5)15-18(2)23(17)24(26)31-22-9-8-20(29-12-10-27-6)16-21(22)30-13-11-28-7/h8-9,14-16,31H,10-13H2,1-7H3
InChIKeyKDCOVBVPRUZERE-UHFFFAOYSA-N
XLogP4.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

CID 70014164
CID 70014164
CID 70014312
CID 70014312
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
CID 70016387
CID 70016387
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The IUPAC name of [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone (CID 70015718) is [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone.
What is the SMILES notation for [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The canonical SMILES for [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone is COCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCOC)c1.
What is the InChIKey of [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The InChIKey is KDCOVBVPRUZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O5P/c1-17-14-19(25(3,4)5)15-18(2)23(17)24(26)31-22-9-8-20(29-12-10-27-6)16-21(22)30-13-11-28-7/h8-9,14-16,31H,10-13H2,1-7H3.
What are the key properties of [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone?
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone has a molecular weight of 446.52 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 70015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).