(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid

C16H19O5P — CID 139679848

IUPAC(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid
SMILESCOc1ccccc1OP(=O)(O)CCOCc1ccccc1
InChIInChI=1S/C16H19O5P/c1-19-15-9-5-6-10-16(15)21-22(17,18)12-11-20-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,17,18)
InChIKeyAMDSIEZBBTVVIN-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.48
Rot. Bonds8

About (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid

(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid (PubChem CID 139679848) has the molecular formula C16H19O5P and a molecular weight of 322.30 g/mol. Its IUPAC name is (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid.

Molecular Properties

Compound Name(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid
PubChem CID139679848
Molecular FormulaC16H19O5P
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid
SMILESCOc1ccccc1OP(=O)(O)CCOCc1ccccc1
InChIInChI=1S/C16H19O5P/c1-19-15-9-5-6-10-16(15)21-22(17,18)12-11-20-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,17,18)
InChIKeyAMDSIEZBBTVVIN-UHFFFAOYSA-N
XLogP3.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
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CID 15050635
2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
CID 174803088
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
methoxymethylbenzene;silane
CID 174277199
2-[bis(2-hydroxyethyl)amino]ethanol;bis(2-methoxyphenyl) hydrogen phosphate
CID 134108945
acetic acid;phenylmethoxymethylbenzene
CID 175214238
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid?
The IUPAC name of (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid (CID 139679848) is (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid.
What is the SMILES notation for (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid?
The canonical SMILES for (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid is COc1ccccc1OP(=O)(O)CCOCc1ccccc1.
What is the InChIKey of (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid?
The InChIKey is AMDSIEZBBTVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O5P/c1-19-15-9-5-6-10-16(15)21-22(17,18)12-11-20-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,17,18).
What are the key properties of (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid?
(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid has a molecular weight of 322.30 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid is sourced from PubChem (CID 139679848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).