(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone

C19H23O3P — CID 70015731

IUPAC(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C19H23O3P/c1-4-21-12-13-22-16-8-10-17(11-9-16)23-19(20)18-14(2)6-5-7-15(18)3/h5-11,23H,4,12-13H2,1-3H3
InChIKeyIVKBIERLDUMDGU-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.86
Rot. Bonds8

About (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone

(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone (PubChem CID 70015731) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
PubChem CID70015731
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C19H23O3P/c1-4-21-12-13-22-16-8-10-17(11-9-16)23-19(20)18-14(2)6-5-7-15(18)3/h5-11,23H,4,12-13H2,1-3H3
InChIKeyIVKBIERLDUMDGU-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
CID 70014538
CID 70014538
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
CID 18513809
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone (CID 70015731) is (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone is CCOCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1.
What is the InChIKey of (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The InChIKey is IVKBIERLDUMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O3P/c1-4-21-12-13-22-16-8-10-17(11-9-16)23-19(20)18-14(2)6-5-7-15(18)3/h5-11,23H,4,12-13H2,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone?
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone has a molecular weight of 330.36 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 70015731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).