(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone

C27H39O5P — CID 18513985

IUPAC(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCCCCC)c1
InChIInChI=1S/C27H39O5P/c1-5-7-9-11-18-31-21-16-17-25(24(20-21)32-19-12-10-8-6-2)33-27(28)26-22(29-3)14-13-15-23(26)30-4/h13-17,20,33H,5-12,18-19H2,1-4H3
InChIKeyGZWXVJWRUXTSRI-UHFFFAOYSA-N
MW474.58 g/mol
LogP6.77
Rot. Bonds17

About (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone

(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone (PubChem CID 18513985) has the molecular formula C27H39O5P and a molecular weight of 474.58 g/mol. Its IUPAC name is (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
PubChem CID18513985
Molecular FormulaC27H39O5P
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCCCCC)c1
InChIInChI=1S/C27H39O5P/c1-5-7-9-11-18-31-21-16-17-25(24(20-21)32-19-12-10-8-6-2)33-27(28)26-22(29-3)14-13-15-23(26)30-4/h13-17,20,33H,5-12,18-19H2,1-4H3
InChIKeyGZWXVJWRUXTSRI-UHFFFAOYSA-N
XLogP6.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 56.77
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

(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
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-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095

Frequently Asked Questions

What is the IUPAC name of (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone (CID 18513985) is (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone is CCCCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCCCCC)c1.
What is the InChIKey of (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is GZWXVJWRUXTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39O5P/c1-5-7-9-11-18-31-21-16-17-25(24(20-21)32-19-12-10-8-6-2)33-27(28)26-22(29-3)14-13-15-23(26)30-4/h13-17,20,33H,5-12,18-19H2,1-4H3.
What are the key properties of (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 474.58 g/mol, XLogP of 6.77, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 18513985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).