[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid

C15H25O7P — CID 87176033

IUPAC[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1cc(OCCO)ccc1OCCO
InChIInChI=1S/C15H25O7P/c1-3-12(2)22-23(18,19)11-13-10-14(20-8-6-16)4-5-15(13)21-9-7-17/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeySKZXNWGWGCXITK-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.93
Rot. Bonds11

About [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid

[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid (PubChem CID 87176033) has the molecular formula C15H25O7P and a molecular weight of 348.33 g/mol. Its IUPAC name is [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid
PubChem CID87176033
Molecular FormulaC15H25O7P
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1cc(OCCO)ccc1OCCO
InChIInChI=1S/C15H25O7P/c1-3-12(2)22-23(18,19)11-13-10-14(20-8-6-16)4-5-15(13)21-9-7-17/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeySKZXNWGWGCXITK-UHFFFAOYSA-N
XLogP1.93
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87176074
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
CID 87175744
ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87175635
2-(bromomethyl)-1,4-bis(3-methylbutoxy)benzene
CID 59245479
2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
CID 164757819
2-[3-bromo-4-[(propan-2-ylamino)methyl]phenoxy]ethanol
CID 115575836
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]phenoxy]ethanol
CID 21257839
2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
CID 18618779

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid?
The IUPAC name of [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid (CID 87176033) is [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid.
What is the SMILES notation for [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid?
The canonical SMILES for [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid is CCC(C)OP(=O)(O)Cc1cc(OCCO)ccc1OCCO.
What is the InChIKey of [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid?
The InChIKey is SKZXNWGWGCXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O7P/c1-3-12(2)22-23(18,19)11-13-10-14(20-8-6-16)4-5-15(13)21-9-7-17/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid?
[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid has a molecular weight of 348.33 g/mol, XLogP of 1.93, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid is sourced from PubChem (CID 87176033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).