CID 70014251

C17H19LiOP — CID 70014251

IUPAC—
SMILESCc1cccc(C)c1PC(=O)c1c(C)cccc1C.[Li]
InChIInChI=1S/C17H19OP.Li/c1-11-7-5-8-12(2)15(11)17(18)19-16-13(3)9-6-10-14(16)4;/h5-10,19H,1-4H3;
InChIKeyMWFAVVCQJMPHKZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.68
Rot. Bonds3

About CID 70014251

CID 70014251 (PubChem CID 70014251) has the molecular formula C17H19LiOP and a molecular weight of 277.25 g/mol.

Molecular Properties

Compound NameCID 70014251
PubChem CID70014251
Molecular FormulaC17H19LiOP
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name—
SMILESCc1cccc(C)c1PC(=O)c1c(C)cccc1C.[Li]
InChIInChI=1S/C17H19OP.Li/c1-11-7-5-8-12(2)15(11)17(18)19-16-13(3)9-6-10-14(16)4;/h5-10,19H,1-4H3;
InChIKeyMWFAVVCQJMPHKZ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
CID 70015738
CID 70015738
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514070
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
CID 18513809
CID 70014966
CID 70014966
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
CID 158168490
CID 158168490
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
CID 70012768
CID 70012768
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959

Frequently Asked Questions

What is the IUPAC name of CID 70014251?
The IUPAC name of CID 70014251 (CID 70014251) is not available.
What is the SMILES notation for CID 70014251?
The canonical SMILES for CID 70014251 is Cc1cccc(C)c1PC(=O)c1c(C)cccc1C.[Li].
What is the InChIKey of CID 70014251?
The InChIKey is MWFAVVCQJMPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19OP.Li/c1-11-7-5-8-12(2)15(11)17(18)19-16-13(3)9-6-10-14(16)4;/h5-10,19H,1-4H3;.
What are the key properties of CID 70014251?
CID 70014251 has a molecular weight of 277.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014251 is sourced from PubChem (CID 70014251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).