CID 70014778

C21H27LiOP — CID 70014778

IUPAC—
SMILESCc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C21H27OP.Li/c1-13-8-9-18(14(2)10-13)23-20(22)19-15(3)11-17(12-16(19)4)21(5,6)7;/h8-12,23H,1-7H3;
InChIKeyHFXRXAJWZWJEDB-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.98
Rot. Bonds3

About CID 70014778

CID 70014778 (PubChem CID 70014778) has the molecular formula C21H27LiOP and a molecular weight of 333.36 g/mol.

Molecular Properties

Compound NameCID 70014778
PubChem CID70014778
Molecular FormulaC21H27LiOP
Molecular Weight333.36 g/mol
Exact Mass333.20
IUPAC Name—
SMILESCc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C21H27OP.Li/c1-13-8-9-18(14(2)10-13)23-20(22)19-15(3)11-17(12-16(19)4)21(5,6)7;/h8-12,23H,1-7H3;
InChIKeyHFXRXAJWZWJEDB-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.98
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

CID 70015545
CID 70015545
CID 70014312
CID 70014312
CID 70016387
CID 70016387
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
CID 70016390
CID 70016390
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride
CID 173243309
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
CID 70016641
CID 70016641

Frequently Asked Questions

What is the IUPAC name of CID 70014778?
The IUPAC name of CID 70014778 (CID 70014778) is not available.
What is the SMILES notation for CID 70014778?
The canonical SMILES for CID 70014778 is Cc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li].
What is the InChIKey of CID 70014778?
The InChIKey is HFXRXAJWZWJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27OP.Li/c1-13-8-9-18(14(2)10-13)23-20(22)19-15(3)11-17(12-16(19)4)21(5,6)7;/h8-12,23H,1-7H3;.
What are the key properties of CID 70014778?
CID 70014778 has a molecular weight of 333.36 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014778 is sourced from PubChem (CID 70014778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).