CID 162326255

C18H29LiO4P — CID 162326255

IUPAC—
SMILESCOc1ccc(OC)c(C(=O)PCC(C)CC(C)(C)C)c1OC.[Li]
InChIInChI=1S/C18H29O4P.Li/c1-12(10-18(2,3)4)11-23-17(19)15-13(20-5)8-9-14(21-6)16(15)22-7;/h8-9,12,23H,10-11H2,1-7H3;
InChIKeyPDDLYRIVXBJSPU-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.22
Rot. Bonds8

About CID 162326255

CID 162326255 (PubChem CID 162326255) has the molecular formula C18H29LiO4P and a molecular weight of 347.34 g/mol.

Molecular Properties

Compound NameCID 162326255
PubChem CID162326255
Molecular FormulaC18H29LiO4P
Molecular Weight347.34 g/mol
Exact Mass347.20
IUPAC Name—
SMILESCOc1ccc(OC)c(C(=O)PCC(C)CC(C)(C)C)c1OC.[Li]
InChIInChI=1S/C18H29O4P.Li/c1-12(10-18(2,3)4)11-23-17(19)15-13(20-5)8-9-14(21-6)16(15)22-7;/h8-9,12,23H,10-11H2,1-7H3;
InChIKeyPDDLYRIVXBJSPU-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.22
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;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
CID 174400572
lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399349
[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
(3-bromo-2,6-dimethoxyphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
CID 141022955
1-(1-bromo-3,3-dimethylbutyl)-2,3,4-trimethoxybenzene
CID 61096002
lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
CID 141023181
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3,5,5-trimethylhexan-1-one
CID 146008988
lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141022766
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148

Frequently Asked Questions

What is the IUPAC name of CID 162326255?
The IUPAC name of CID 162326255 (CID 162326255) is not available.
What is the SMILES notation for CID 162326255?
The canonical SMILES for CID 162326255 is COc1ccc(OC)c(C(=O)PCC(C)CC(C)(C)C)c1OC.[Li].
What is the InChIKey of CID 162326255?
The InChIKey is PDDLYRIVXBJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O4P.Li/c1-12(10-18(2,3)4)11-23-17(19)15-13(20-5)8-9-14(21-6)16(15)22-7;/h8-9,12,23H,10-11H2,1-7H3;.
What are the key properties of CID 162326255?
CID 162326255 has a molecular weight of 347.34 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162326255 is sourced from PubChem (CID 162326255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).