butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid

C15H19O4P — CID 87175695

IUPACbutan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19O4P/c1-3-11(2)19-20(17,18)10-14-13-7-5-4-6-12(13)8-9-15(14)16/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyJCJOICLKYBNYKB-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.05
Rot. Bonds5

About butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid

butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid (PubChem CID 87175695) has the molecular formula C15H19O4P and a molecular weight of 294.29 g/mol. Its IUPAC name is butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
PubChem CID87175695
Molecular FormulaC15H19O4P
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Namebutan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19O4P/c1-3-11(2)19-20(17,18)10-14-13-7-5-4-6-12(13)8-9-15(14)16/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyJCJOICLKYBNYKB-UHFFFAOYSA-N
XLogP4.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
butan-2-yloxy-[(3-propan-2-yl-1-benzothiophen-2-yl)methyl]phosphinic acid
CID 87146796
1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol
CID 78954360
naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
CID 152677811
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
CID 82977332
butan-2-yloxy-[2-(8-naphthalen-1-ylquinolin-2-yl)ethyl]phosphinic acid
CID 87337410
1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
CID 115655572
butan-2-yloxy-[[(8-naphthalen-1-ylquinoline-2-carbonyl)amino]methyl]phosphinic acid
CID 87338125
butan-2-yloxy-[[4-(4-hydroxyphenyl)sulfanylphenyl]methyl]phosphinic acid
CID 87175755
1-(2-amino-4-methylpentyl)naphthalen-2-ol
CID 55112516
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid (CID 87175695) is butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid is CCC(C)OP(=O)(O)Cc1c(O)ccc2ccccc12.
What is the InChIKey of butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid?
The InChIKey is JCJOICLKYBNYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O4P/c1-3-11(2)19-20(17,18)10-14-13-7-5-4-6-12(13)8-9-15(14)16/h4-9,11,16H,3,10H2,1-2H3,(H,17,18).
What are the key properties of butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid?
butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid has a molecular weight of 294.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid is sourced from PubChem (CID 87175695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).