(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone

C21H27O5P — CID 18514543

IUPAC(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
SMILESCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCC)c1
InChIInChI=1S/C21H27O5P/c1-5-12-25-15-10-11-19(18(14-15)26-13-6-2)27-21(22)20-16(23-3)8-7-9-17(20)24-4/h7-11,14,27H,5-6,12-13H2,1-4H3
InChIKeyNBKNNZSUBBHMCG-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.43
Rot. Bonds11

About (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone

(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone (PubChem CID 18514543) has the molecular formula C21H27O5P and a molecular weight of 390.42 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
PubChem CID18514543
Molecular FormulaC21H27O5P
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
SMILESCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCC)c1
InChIInChI=1S/C21H27O5P/c1-5-12-25-15-10-11-19(18(14-15)26-13-6-2)27-21(22)20-16(23-3)8-7-9-17(20)24-4/h7-11,14,27H,5-6,12-13H2,1-4H3
InChIKeyNBKNNZSUBBHMCG-UHFFFAOYSA-N
XLogP4.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone (CID 18514543) is (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone is CCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCC)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone?
The InChIKey is NBKNNZSUBBHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O5P/c1-5-12-25-15-10-11-19(18(14-15)26-13-6-2)27-21(22)20-16(23-3)8-7-9-17(20)24-4/h7-11,14,27H,5-6,12-13H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone?
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone has a molecular weight of 390.42 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).