[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid

C16H17O4P — CID 130271117

IUPAC[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid
SMILESCc1ccc(OC=O)c(Cc2cc(C)ccc2OPO)c1
InChIInChI=1S/C16H17O4P/c1-11-3-5-15(19-10-17)13(7-11)9-14-8-12(2)4-6-16(14)20-21-18/h3-8,10,18,21H,9H2,1-2H3
InChIKeyGODHFIMCMVJTPS-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.31
Rot. Bonds6

About [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid

[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid (PubChem CID 130271117) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid.

Molecular Properties

Compound Name[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid
PubChem CID130271117
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid
SMILESCc1ccc(OC=O)c(Cc2cc(C)ccc2OPO)c1
InChIInChI=1S/C16H17O4P/c1-11-3-5-15(19-10-17)13(7-11)9-14-8-12(2)4-6-16(14)20-21-18/h3-8,10,18,21H,9H2,1-2H3
InChIKeyGODHFIMCMVJTPS-UHFFFAOYSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-methylphenyl) formate
CID 58909986
[2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenyl] acetate
CID 13064246
[2-(cyanomethoxy)-4-methylphenyl] formate
CID 174830177
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
[2-(4-bromophenoxy)-4-methylphenyl] formate
CID 135130123
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
CID 143611312
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
[2-(hydroxymethyl)phenyl] formate
CID 54203489
2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
CID 175325804
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639

Frequently Asked Questions

What is the IUPAC name of [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid?
The IUPAC name of [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid (CID 130271117) is [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid.
What is the SMILES notation for [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid?
The canonical SMILES for [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid is Cc1ccc(OC=O)c(Cc2cc(C)ccc2OPO)c1.
What is the InChIKey of [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid?
The InChIKey is GODHFIMCMVJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-11-3-5-15(19-10-17)13(7-11)9-14-8-12(2)4-6-16(14)20-21-18/h3-8,10,18,21H,9H2,1-2H3.
What are the key properties of [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid?
[2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid has a molecular weight of 304.28 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-formyloxy-5-methylphenyl)methyl]-4-methylphenoxy]phosphinous acid is sourced from PubChem (CID 130271117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).