ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid

C16H17O6P — CID 150107385

IUPACethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid
SMILESCCOP(=O)(O)C(=O)Oc1ccc(OC)cc1-c1ccccc1
InChIInChI=1S/C16H17O6P/c1-3-21-23(18,19)16(17)22-15-10-9-13(20-2)11-14(15)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyDWNJRVKZHAMPHK-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.08
Rot. Bonds6

About ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid

ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid (PubChem CID 150107385) has the molecular formula C16H17O6P and a molecular weight of 336.28 g/mol. Its IUPAC name is ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid.

Molecular Properties

Compound Nameethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid
PubChem CID150107385
Molecular FormulaC16H17O6P
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Nameethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid
SMILESCCOP(=O)(O)C(=O)Oc1ccc(OC)cc1-c1ccccc1
InChIInChI=1S/C16H17O6P/c1-3-21-23(18,19)16(17)22-15-10-9-13(20-2)11-14(15)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyDWNJRVKZHAMPHK-UHFFFAOYSA-N
XLogP4.08
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-diethoxyphosphoryl-5-methoxy-2-phenylaniline
CID 86305310
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
4-methoxy-N,2-diphenylbenzamide
CID 156739257
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
CID 88696852
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209

Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid?
The IUPAC name of ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid (CID 150107385) is ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid.
What is the SMILES notation for ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid?
The canonical SMILES for ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid is CCOP(=O)(O)C(=O)Oc1ccc(OC)cc1-c1ccccc1.
What is the InChIKey of ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid?
The InChIKey is DWNJRVKZHAMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O6P/c1-3-21-23(18,19)16(17)22-15-10-9-13(20-2)11-14(15)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid?
ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid has a molecular weight of 336.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid is sourced from PubChem (CID 150107385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).