CID 159993809

C10H12ClLiO2P — CID 159993809

IUPAC—
SMILESCOc1cccc(Cl)c1C(=O)CCP.[Li]
InChIInChI=1S/C10H12ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4H,5-6,14H2,1H3;
InChIKeyOHHCNMGJUQSHPP-UHFFFAOYSA-N
MW237.57 g/mol
LogP2.42
Rot. Bonds4

About CID 159993809

CID 159993809 (PubChem CID 159993809) has the molecular formula C10H12ClLiO2P and a molecular weight of 237.57 g/mol.

Molecular Properties

Compound NameCID 159993809
PubChem CID159993809
Molecular FormulaC10H12ClLiO2P
Molecular Weight237.57 g/mol
Exact Mass237.04
IUPAC Name—
SMILESCOc1cccc(Cl)c1C(=O)CCP.[Li]
InChIInChI=1S/C10H12ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4H,5-6,14H2,1H3;
InChIKeyOHHCNMGJUQSHPP-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 159993809?
The IUPAC name of CID 159993809 (CID 159993809) is not available.
What is the SMILES notation for CID 159993809?
The canonical SMILES for CID 159993809 is COc1cccc(Cl)c1C(=O)CCP.[Li].
What is the InChIKey of CID 159993809?
The InChIKey is OHHCNMGJUQSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4H,5-6,14H2,1H3;.
What are the key properties of CID 159993809?
CID 159993809 has a molecular weight of 237.57 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159993809 is sourced from PubChem (CID 159993809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).