3-di(propan-2-yloxy)phosphorylchromen-2-one

C15H19O5P — CID 132918495

IUPAC3-di(propan-2-yloxy)phosphorylchromen-2-one
SMILESCC(C)OP(=O)(OC(C)C)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H19O5P/c1-10(2)19-21(17,20-11(3)4)14-9-12-7-5-6-8-13(12)18-15(14)16/h5-11H,1-4H3
InChIKeyOPOHYSPAZBNWAM-UHFFFAOYSA-N
MW310.29 g/mol
LogP3.46
Rot. Bonds5

About 3-di(propan-2-yloxy)phosphorylchromen-2-one

3-di(propan-2-yloxy)phosphorylchromen-2-one (PubChem CID 132918495) has the molecular formula C15H19O5P and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphorylchromen-2-one.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphorylchromen-2-one
PubChem CID132918495
Molecular FormulaC15H19O5P
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name3-di(propan-2-yloxy)phosphorylchromen-2-one
SMILESCC(C)OP(=O)(OC(C)C)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H19O5P/c1-10(2)19-21(17,20-11(3)4)14-9-12-7-5-6-8-13(12)18-15(14)16/h5-11H,1-4H3
InChIKeyOPOHYSPAZBNWAM-UHFFFAOYSA-N
XLogP3.46
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-di(propan-2-yloxy)phosphorylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diethoxyphosphorylchromen-2-one
CID 11323513
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
3-trimethylsilylchromen-2-one
CID 71378789
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
CID 170712291
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
(2-oxochromen-3-yl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141062878
[(1R)-1-phenylethyl] 2-oxochromene-3-carboxylate
CID 894703

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yloxy)phosphorylchromen-2-one?
The IUPAC name of 3-di(propan-2-yloxy)phosphorylchromen-2-one (CID 132918495) is 3-di(propan-2-yloxy)phosphorylchromen-2-one.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphorylchromen-2-one?
The canonical SMILES for 3-di(propan-2-yloxy)phosphorylchromen-2-one is CC(C)OP(=O)(OC(C)C)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-di(propan-2-yloxy)phosphorylchromen-2-one?
The InChIKey is OPOHYSPAZBNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O5P/c1-10(2)19-21(17,20-11(3)4)14-9-12-7-5-6-8-13(12)18-15(14)16/h5-11H,1-4H3.
What are the key properties of 3-di(propan-2-yloxy)phosphorylchromen-2-one?
3-di(propan-2-yloxy)phosphorylchromen-2-one has a molecular weight of 310.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphorylchromen-2-one is sourced from PubChem (CID 132918495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).