lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C22H30LiO5P — CID 173244960

IUPAClithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OCCC(C)C)cc2C)c(OC)c1.[H-].[Li+]
InChIInChI=1S/C22H29O5P.Li.H/c1-14(2)9-10-27-16-7-8-20(15(3)11-16)28-22(23)21-18(25-5)12-17(24-4)13-19(21)26-6;;/h7-8,11-14,28H,9-10H2,1-6H3;;/q;+1;-1
InChIKeyDROZDMLLFSWDLC-UHFFFAOYSA-N
MW412.39 g/mol
LogP1.71
Rot. Bonds10

About lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 173244960) has the molecular formula C22H30LiO5P and a molecular weight of 412.39 g/mol. Its IUPAC name is lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namelithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID173244960
Molecular FormulaC22H30LiO5P
Molecular Weight412.39 g/mol
Exact Mass412.20
IUPAC Namelithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OCCC(C)C)cc2C)c(OC)c1.[H-].[Li+]
InChIInChI=1S/C22H29O5P.Li.H/c1-14(2)9-10-27-16-7-8-20(15(3)11-16)28-22(23)21-18(25-5)12-17(24-4)13-19(21)26-6;;/h7-8,11-14,28H,9-10H2,1-6H3;;/q;+1;-1
InChIKeyDROZDMLLFSWDLC-UHFFFAOYSA-N
XLogP1.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 51.71
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

lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 173244960) is lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)Pc2ccc(OCCC(C)C)cc2C)c(OC)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is DROZDMLLFSWDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O5P.Li.H/c1-14(2)9-10-27-16-7-8-20(15(3)11-16)28-22(23)21-18(25-5)12-17(24-4)13-19(21)26-6;;/h7-8,11-14,28H,9-10H2,1-6H3;;/q;+1;-1.
What are the key properties of lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 412.39 g/mol, XLogP of 1.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 173244960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).