CID 57408018

C21H22P — CID 57408018

IUPAC—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][CH]2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H22P/c1-15-9-16(2)12-20(11-15)22(19-7-5-6-8-19)21-13-17(3)10-18(4)14-21/h5-14H,1-4H3
InChIKeyIPOGOXAVTLXNRX-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.72
Rot. Bonds3

About CID 57408018

CID 57408018 (PubChem CID 57408018) has the molecular formula C21H22P and a molecular weight of 305.38 g/mol.

Molecular Properties

Compound NameCID 57408018
PubChem CID57408018
Molecular FormulaC21H22P
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][CH]2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H22P/c1-15-9-16(2)12-20(11-15)22(19-7-5-6-8-19)21-13-17(3)10-18(4)14-21/h5-14H,1-4H3
InChIKeyIPOGOXAVTLXNRX-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57408018?
The IUPAC name of CID 57408018 (CID 57408018) is not available.
What is the SMILES notation for CID 57408018?
The canonical SMILES for CID 57408018 is Cc1cc(C)cc(P([C]2[CH][CH][CH][CH]2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of CID 57408018?
The InChIKey is IPOGOXAVTLXNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22P/c1-15-9-16(2)12-20(11-15)22(19-7-5-6-8-19)21-13-17(3)10-18(4)14-21/h5-14H,1-4H3.
What are the key properties of CID 57408018?
CID 57408018 has a molecular weight of 305.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57408018 is sourced from PubChem (CID 57408018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).