ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid

C17H21O5P — CID 87671559

IUPACethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(Cc2ccc(OCO)cc2)cc1
InChIInChI=1S/C17H21O5P/c1-2-22-23(19,20)12-16-5-3-14(4-6-16)11-15-7-9-17(10-8-15)21-13-18/h3-10,18H,2,11-13H2,1H3,(H,19,20)
InChIKeyCPOIBAYCHWYIFK-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.33
Rot. Bonds8

About ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid

ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid (PubChem CID 87671559) has the molecular formula C17H21O5P and a molecular weight of 336.32 g/mol. Its IUPAC name is ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
PubChem CID87671559
Molecular FormulaC17H21O5P
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Nameethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(Cc2ccc(OCO)cc2)cc1
InChIInChI=1S/C17H21O5P/c1-2-22-23(19,20)12-16-5-3-14(4-6-16)11-15-7-9-17(10-8-15)21-13-18/h3-10,18H,2,11-13H2,1H3,(H,19,20)
InChIKeyCPOIBAYCHWYIFK-UHFFFAOYSA-N
XLogP3.33
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-butylphenyl)methyl]phenyl]methyl-ethoxyphosphinic acid
CID 87175618
[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
CID 150527208
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid
CID 69044867
[4-(diethoxyphosphorylmethoxy)phenyl]methanol
CID 23257899
butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87176074
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol
CID 141142563
4-[4-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]sulfonylbenzoic acid
CID 87175689
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
ethoxy-[[6-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-3-pyridinyl]methyl]phosphinic acid
CID 101010649
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid (CID 87671559) is ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid is CCOP(=O)(O)Cc1ccc(Cc2ccc(OCO)cc2)cc1.
What is the InChIKey of ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid?
The InChIKey is CPOIBAYCHWYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O5P/c1-2-22-23(19,20)12-16-5-3-14(4-6-16)11-15-7-9-17(10-8-15)21-13-18/h3-10,18H,2,11-13H2,1H3,(H,19,20).
What are the key properties of ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid?
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid has a molecular weight of 336.32 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid is sourced from PubChem (CID 87671559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).