butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid

C13H21O5P — CID 87176074

IUPACbutan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1ccc(OCCO)cc1
InChIInChI=1S/C13H21O5P/c1-3-11(2)18-19(15,16)10-12-4-6-13(7-5-12)17-9-8-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyFXIPHFQDTQSFLQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.56
Rot. Bonds8

About butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid

butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid (PubChem CID 87176074) has the molecular formula C13H21O5P and a molecular weight of 288.28 g/mol. Its IUPAC name is butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
PubChem CID87176074
Molecular FormulaC13H21O5P
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Namebutan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1ccc(OCCO)cc1
InChIInChI=1S/C13H21O5P/c1-3-11(2)18-19(15,16)10-12-4-6-13(7-5-12)17-9-8-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyFXIPHFQDTQSFLQ-UHFFFAOYSA-N
XLogP2.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid
CID 87176033
butan-2-yloxy-[[4-(4-hydroxyphenyl)sulfanylphenyl]methyl]phosphinic acid
CID 87175755
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87175635
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
CID 152677811
CID 162335780
CID 162335780
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
benzyl-(4-butoxybenzoyl)oxyphosphinic acid
CID 139959869
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
CID 150527208

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid (CID 87176074) is butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid is CCC(C)OP(=O)(O)Cc1ccc(OCCO)cc1.
What is the InChIKey of butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The InChIKey is FXIPHFQDTQSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O5P/c1-3-11(2)18-19(15,16)10-12-4-6-13(7-5-12)17-9-8-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid has a molecular weight of 288.28 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid is sourced from PubChem (CID 87176074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).