butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid

C12H19O4P — CID 142472521

IUPACbutoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid
SMILESCCCCOP(O)CCc1ccc(O)cc1O
InChIInChI=1S/C12H19O4P/c1-2-3-7-16-17(15)8-6-10-4-5-11(13)9-12(10)14/h4-5,9,13-15H,2-3,6-8H2,1H3
InChIKeyAFJSZPIIESPHNJ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.76
Rot. Bonds7

About butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid

butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid (PubChem CID 142472521) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid.

Molecular Properties

Compound Namebutoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid
PubChem CID142472521
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Namebutoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid
SMILESCCCCOP(O)CCc1ccc(O)cc1O
InChIInChI=1S/C12H19O4P/c1-2-3-7-16-17(15)8-6-10-4-5-11(13)9-12(10)14/h4-5,9,13-15H,2-3,6-8H2,1H3
InChIKeyAFJSZPIIESPHNJ-UHFFFAOYSA-N
XLogP2.76
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.76
H-Bond Donors ≤ 53
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

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CID 101133990
anthracene;4-octadecylbenzene-1,3-diol
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4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol
CID 139826647
4-ethylbenzene-1,3-diol
CID 17927
5-ethoxy-2-hexylphenol
CID 3021981
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
5-methoxy-2-propylphenol
CID 12836519
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
(4-butyl-3-hydroxyphenyl) propanoate
CID 175351679
1-(2,4-dihydroxyphenyl)undecan-2-one
CID 21116378
4-nonoxybenzene-1,3-diol
CID 66563301
3-butoxy-4-fluorophenol
CID 174949463

Frequently Asked Questions

What is the IUPAC name of butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid?
The IUPAC name of butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid (CID 142472521) is butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid.
What is the SMILES notation for butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid?
The canonical SMILES for butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid is CCCCOP(O)CCc1ccc(O)cc1O.
What is the InChIKey of butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid?
The InChIKey is AFJSZPIIESPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-2-3-7-16-17(15)8-6-10-4-5-11(13)9-12(10)14/h4-5,9,13-15H,2-3,6-8H2,1H3.
What are the key properties of butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid?
butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid has a molecular weight of 258.25 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[2-(2,4-dihydroxyphenyl)ethyl]phosphinous acid is sourced from PubChem (CID 142472521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).