[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C40H55O9P — CID 22717592

IUPAC[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCCCOc1ccc(P(=O)(C(=O)c2c(OC)cccc2OC)C(=O)c2c(OC)cccc2OC)c(OCCCCCCCC)c1
InChIInChI=1S/C40H55O9P/c1-7-9-11-13-15-17-27-48-30-25-26-36(35(29-30)49-28-18-16-14-12-10-8-2)50(43,39(41)37-31(44-3)21-19-22-32(37)45-4)40(42)38-33(46-5)23-20-24-34(38)47-6/h19-26,29H,7-18,27-28H2,1-6H3
InChIKeyDTEBKZFPSFBQQW-UHFFFAOYSA-N
MW710.85 g/mol
LogP9.87
Rot. Bonds25

About [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 22717592) has the molecular formula C40H55O9P and a molecular weight of 710.85 g/mol. Its IUPAC name is [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID22717592
Molecular FormulaC40H55O9P
Molecular Weight710.85 g/mol
Exact Mass710.36
IUPAC Name[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCCCOc1ccc(P(=O)(C(=O)c2c(OC)cccc2OC)C(=O)c2c(OC)cccc2OC)c(OCCCCCCCC)c1
InChIInChI=1S/C40H55O9P/c1-7-9-11-13-15-17-27-48-30-25-26-36(35(29-30)49-28-18-16-14-12-10-8-2)50(43,39(41)37-31(44-3)21-19-22-32(37)45-4)40(42)38-33(46-5)23-20-24-34(38)47-6/h19-26,29H,7-18,27-28H2,1-6H3
InChIKeyDTEBKZFPSFBQQW-UHFFFAOYSA-N
XLogP9.87
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.85
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141016208
4-decoxy-2-hexoxybenzoic acid
CID 141156533
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
1,3-dihexadecoxybenzene
CID 12686834

Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 22717592) is [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is CCCCCCCCOc1ccc(P(=O)(C(=O)c2c(OC)cccc2OC)C(=O)c2c(OC)cccc2OC)c(OCCCCCCCC)c1.
What is the InChIKey of [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is DTEBKZFPSFBQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55O9P/c1-7-9-11-13-15-17-27-48-30-25-26-36(35(29-30)49-28-18-16-14-12-10-8-2)50(43,39(41)37-31(44-3)21-19-22-32(37)45-4)40(42)38-33(46-5)23-20-24-34(38)47-6/h19-26,29H,7-18,27-28H2,1-6H3.
What are the key properties of [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 710.85 g/mol, XLogP of 9.87, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 22717592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).