butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid

C14H23O4P — CID 174548595

IUPACbutoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid
SMILESCCCCOP(=O)(O)C(CC)Cc1ccc(O)cc1
InChIInChI=1S/C14H23O4P/c1-3-5-10-18-19(16,17)14(4-2)11-12-6-8-13(15)9-7-12/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyFRNGWULEJAJMRN-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.72
Rot. Bonds8

About butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid

butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid (PubChem CID 174548595) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid.

Molecular Properties

Compound Namebutoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid
PubChem CID174548595
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Namebutoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid
SMILESCCCCOP(=O)(O)C(CC)Cc1ccc(O)cc1
InChIInChI=1S/C14H23O4P/c1-3-5-10-18-19(16,17)14(4-2)11-12-6-8-13(15)9-7-12/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyFRNGWULEJAJMRN-UHFFFAOYSA-N
XLogP3.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 101243552
tris(4-nonylphenol);phosphoric acid
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2-hydroxyethyl dihydrogen phosphate;4-octylphenol
CID 170173418
butoxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 174817129
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propaneperoxoate
CID 141436930
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 70253873
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
dibutyl hydrogen phosphate
CID 158586372

Frequently Asked Questions

What is the IUPAC name of butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid?
The IUPAC name of butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid (CID 174548595) is butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid.
What is the SMILES notation for butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid?
The canonical SMILES for butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid is CCCCOP(=O)(O)C(CC)Cc1ccc(O)cc1.
What is the InChIKey of butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid?
The InChIKey is FRNGWULEJAJMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-3-5-10-18-19(16,17)14(4-2)11-12-6-8-13(15)9-7-12/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,16,17).
What are the key properties of butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid?
butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid has a molecular weight of 286.31 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[1-(4-hydroxyphenyl)butan-2-yl]phosphinic acid is sourced from PubChem (CID 174548595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).