naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid

C16H21O3P — CID 152677811

IUPACnaphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
SMILESCCCC(C)OP(=O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H21O3P/c1-3-6-13(2)19-20(17,18)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,17,18)
InChIKeyZMWRTYZNMDVHCV-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.73
Rot. Bonds6

About naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid

naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid (PubChem CID 152677811) has the molecular formula C16H21O3P and a molecular weight of 292.31 g/mol. Its IUPAC name is naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
PubChem CID152677811
Molecular FormulaC16H21O3P
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Namenaphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
SMILESCCCC(C)OP(=O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H21O3P/c1-3-6-13(2)19-20(17,18)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,17,18)
InChIKeyZMWRTYZNMDVHCV-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-ylmethylphosphonic acid
CID 3696145
butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
CID 87175695
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
ethane;2-ethylnaphthalene
CID 90684887
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid?
The IUPAC name of naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid (CID 152677811) is naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid.
What is the SMILES notation for naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid?
The canonical SMILES for naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid is CCCC(C)OP(=O)(O)Cc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid?
The InChIKey is ZMWRTYZNMDVHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O3P/c1-3-6-13(2)19-20(17,18)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,17,18).
What are the key properties of naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid?
naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid has a molecular weight of 292.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid is sourced from PubChem (CID 152677811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).