ethane;7-iodophosphanyloxy-3-methylchromen-4-one

C12H14IO3P — CID 143768327

IUPACethane;7-iodophosphanyloxy-3-methylchromen-4-one
SMILESCC.Cc1coc2cc(OPI)ccc2c1=O
InChIInChI=1S/C10H8IO3P.C2H6/c1-6-5-13-9-4-7(14-15-11)2-3-8(9)10(6)12;1-2/h2-5,15H,1H3;1-2H3
InChIKeyNCLBBVPGQFPJRT-UHFFFAOYSA-N
MW364.12 g/mol
LogP4.45
Rot. Bonds2

About ethane;7-iodophosphanyloxy-3-methylchromen-4-one

ethane;7-iodophosphanyloxy-3-methylchromen-4-one (PubChem CID 143768327) has the molecular formula C12H14IO3P and a molecular weight of 364.12 g/mol. Its IUPAC name is ethane;7-iodophosphanyloxy-3-methylchromen-4-one.

Molecular Properties

Compound Nameethane;7-iodophosphanyloxy-3-methylchromen-4-one
PubChem CID143768327
Molecular FormulaC12H14IO3P
Molecular Weight364.12 g/mol
Exact Mass363.97
IUPAC Nameethane;7-iodophosphanyloxy-3-methylchromen-4-one
SMILESCC.Cc1coc2cc(OPI)ccc2c1=O
InChIInChI=1S/C10H8IO3P.C2H6/c1-6-5-13-9-4-7(14-15-11)2-3-8(9)10(6)12;1-2/h2-5,15H,1H3;1-2H3
InChIKeyNCLBBVPGQFPJRT-UHFFFAOYSA-N
XLogP4.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.12
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one
CID 143768270
3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one
CID 143768290
3-(1,3-benzodioxol-5-yl)-7-iodophosphanyloxychromen-4-one
CID 143768293
7-hydroxy-3-methylchromen-4-one
CID 13419593
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
(3-bromo-4-oxochromen-7-yl) methanesulfonate
CID 121016484
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 10493126
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360

Frequently Asked Questions

What is the IUPAC name of ethane;7-iodophosphanyloxy-3-methylchromen-4-one?
The IUPAC name of ethane;7-iodophosphanyloxy-3-methylchromen-4-one (CID 143768327) is ethane;7-iodophosphanyloxy-3-methylchromen-4-one.
What is the SMILES notation for ethane;7-iodophosphanyloxy-3-methylchromen-4-one?
The canonical SMILES for ethane;7-iodophosphanyloxy-3-methylchromen-4-one is CC.Cc1coc2cc(OPI)ccc2c1=O.
What is the InChIKey of ethane;7-iodophosphanyloxy-3-methylchromen-4-one?
The InChIKey is NCLBBVPGQFPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IO3P.C2H6/c1-6-5-13-9-4-7(14-15-11)2-3-8(9)10(6)12;1-2/h2-5,15H,1H3;1-2H3.
What are the key properties of ethane;7-iodophosphanyloxy-3-methylchromen-4-one?
ethane;7-iodophosphanyloxy-3-methylchromen-4-one has a molecular weight of 364.12 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-iodophosphanyloxy-3-methylchromen-4-one is sourced from PubChem (CID 143768327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).