CID 70016390

C21H27LiO2P — CID 70016390

IUPAC—
SMILESCc1cc(C)c(C(=O)Pc2ccc(OCC(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C21H27O2P.Li/c1-13(2)12-23-18-7-8-19(15(4)11-18)24-21(22)20-16(5)9-14(3)10-17(20)6;/h7-11,13,24H,12H2,1-6H3;
InChIKeyHQWRRHKYTXUIHU-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.72
Rot. Bonds6

About CID 70016390

CID 70016390 (PubChem CID 70016390) has the molecular formula C21H27LiO2P and a molecular weight of 349.36 g/mol.

Molecular Properties

Compound NameCID 70016390
PubChem CID70016390
Molecular FormulaC21H27LiO2P
Molecular Weight349.36 g/mol
Exact Mass349.19
IUPAC Name—
SMILESCc1cc(C)c(C(=O)Pc2ccc(OCC(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C21H27O2P.Li/c1-13(2)12-23-18-7-8-19(15(4)11-18)24-21(22)20-16(5)9-14(3)10-17(20)6;/h7-11,13,24H,12H2,1-6H3;
InChIKeyHQWRRHKYTXUIHU-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
CID 70014164
CID 70014164
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
CID 70015545
CID 70015545
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
CID 70016387
CID 70016387
CID 70014778
CID 70014778
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
2,6-dimethyl-4-(2-methylpropoxy)benzoic acid
CID 59820032
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382

Frequently Asked Questions

What is the IUPAC name of CID 70016390?
The IUPAC name of CID 70016390 (CID 70016390) is not available.
What is the SMILES notation for CID 70016390?
The canonical SMILES for CID 70016390 is Cc1cc(C)c(C(=O)Pc2ccc(OCC(C)C)cc2C)c(C)c1.[Li].
What is the InChIKey of CID 70016390?
The InChIKey is HQWRRHKYTXUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O2P.Li/c1-13(2)12-23-18-7-8-19(15(4)11-18)24-21(22)20-16(5)9-14(3)10-17(20)6;/h7-11,13,24H,12H2,1-6H3;.
What are the key properties of CID 70016390?
CID 70016390 has a molecular weight of 349.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70016390 is sourced from PubChem (CID 70016390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).