CID 159254576

C14H21LiO3P — CID 159254576

IUPAC—
SMILESCOc1cc(C)cc(OC)c1C(=O)PCC(C)C.[Li]
InChIInChI=1S/C14H21O3P.Li/c1-9(2)8-18-14(15)13-11(16-4)6-10(3)7-12(13)17-5;/h6-7,9,18H,8H2,1-5H3;
InChIKeyKVSNJKXFZNBHPH-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.11
Rot. Bonds6

About CID 159254576

CID 159254576 (PubChem CID 159254576) has the molecular formula C14H21LiO3P and a molecular weight of 275.23 g/mol.

Molecular Properties

Compound NameCID 159254576
PubChem CID159254576
Molecular FormulaC14H21LiO3P
Molecular Weight275.23 g/mol
Exact Mass275.14
IUPAC Name—
SMILESCOc1cc(C)cc(OC)c1C(=O)PCC(C)C.[Li]
InChIInChI=1S/C14H21O3P.Li/c1-9(2)8-18-14(15)13-11(16-4)6-10(3)7-12(13)17-5;/h6-7,9,18H,8H2,1-5H3;
InChIKeyKVSNJKXFZNBHPH-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159254576?
The IUPAC name of CID 159254576 (CID 159254576) is not available.
What is the SMILES notation for CID 159254576?
The canonical SMILES for CID 159254576 is COc1cc(C)cc(OC)c1C(=O)PCC(C)C.[Li].
What is the InChIKey of CID 159254576?
The InChIKey is KVSNJKXFZNBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3P.Li/c1-9(2)8-18-14(15)13-11(16-4)6-10(3)7-12(13)17-5;/h6-7,9,18H,8H2,1-5H3;.
What are the key properties of CID 159254576?
CID 159254576 has a molecular weight of 275.23 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159254576 is sourced from PubChem (CID 159254576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).