methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate

C22H19O6P — CID 12930619

IUPACmethyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OP(Oc1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C22H19O6P/c1-25-21(23)17-12-6-8-14-19(17)27-29(16-10-4-3-5-11-16)28-20-15-9-7-13-18(20)22(24)26-2/h3-15H,1-2H3
InChIKeyMXNCQIALTHHCDC-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.36
Rot. Bonds7

About methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate

methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate (PubChem CID 12930619) has the molecular formula C22H19O6P and a molecular weight of 410.36 g/mol. Its IUPAC name is methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
PubChem CID12930619
Molecular FormulaC22H19O6P
Molecular Weight410.36 g/mol
Exact Mass410.09
IUPAC Namemethyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OP(Oc1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C22H19O6P/c1-25-21(23)17-12-6-8-14-19(17)27-29(16-10-4-3-5-11-16)28-20-15-9-7-13-18(20)22(24)26-2/h3-15H,1-2H3
InChIKeyMXNCQIALTHHCDC-UHFFFAOYSA-N
XLogP4.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-methoxybenzoate
CID 178037044
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
methyl 2-ethenoxybenzoate
CID 66368826
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-(4-bromobutoxy)benzoate
CID 11066070

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate?
The IUPAC name of methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate (CID 12930619) is methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate.
What is the SMILES notation for methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate?
The canonical SMILES for methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate is COC(=O)c1ccccc1OP(Oc1ccccc1C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate?
The InChIKey is MXNCQIALTHHCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19O6P/c1-25-21(23)17-12-6-8-14-19(17)27-29(16-10-4-3-5-11-16)28-20-15-9-7-13-18(20)22(24)26-2/h3-15H,1-2H3.
What are the key properties of methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate?
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate has a molecular weight of 410.36 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate is sourced from PubChem (CID 12930619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).