CID 70014116

C19H23LiO4P — CID 70014116

IUPAC—
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[Li]
InChIInChI=1S/C19H23O4P.Li/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;/h6-13,24H,5H2,1-4H3;
InChIKeyMOGIAHOTRUNEPU-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.64
Rot. Bonds8

About CID 70014116

CID 70014116 (PubChem CID 70014116) has the molecular formula C19H23LiO4P and a molecular weight of 353.30 g/mol.

Molecular Properties

Compound NameCID 70014116
PubChem CID70014116
Molecular FormulaC19H23LiO4P
Molecular Weight353.30 g/mol
Exact Mass353.15
IUPAC Name—
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[Li]
InChIInChI=1S/C19H23O4P.Li/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;/h6-13,24H,5H2,1-4H3;
InChIKeyMOGIAHOTRUNEPU-UHFFFAOYSA-N
XLogP3.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173243904
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
CID 70016005
CID 70016005
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242
CID 70016722
CID 70016722

Frequently Asked Questions

What is the IUPAC name of CID 70014116?
The IUPAC name of CID 70014116 (CID 70014116) is not available.
What is the SMILES notation for CID 70014116?
The canonical SMILES for CID 70014116 is CCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[Li].
What is the InChIKey of CID 70014116?
The InChIKey is MOGIAHOTRUNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P.Li/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;/h6-13,24H,5H2,1-4H3;.
What are the key properties of CID 70014116?
CID 70014116 has a molecular weight of 353.30 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014116 is sourced from PubChem (CID 70014116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).