phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid

C15H25O2P — CID 143149832

IUPACphenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid
SMILESCC(C)(C)CC(C)(C)P(O)OCc1ccccc1
InChIInChI=1S/C15H25O2P/c1-14(2,3)12-15(4,5)18(16)17-11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3
InChIKeyCKQWSKXVGXTUFV-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.72
Rot. Bonds5

About phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid

phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid (PubChem CID 143149832) has the molecular formula C15H25O2P and a molecular weight of 268.34 g/mol. Its IUPAC name is phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid.

Molecular Properties

Compound Namephenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid
PubChem CID143149832
Molecular FormulaC15H25O2P
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Namephenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid
SMILESCC(C)(C)CC(C)(C)P(O)OCc1ccccc1
InChIInChI=1S/C15H25O2P/c1-14(2,3)12-15(4,5)18(16)17-11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3
InChIKeyCKQWSKXVGXTUFV-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.72
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

phenylmethoxyphosphonamidous acid
CID 91418701
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
tribenzyl phosphite
CID 11810300
phenylmethoxy(prop-2-enyl)phosphinous acid
CID 11542939
2,4,4,6,6-pentamethylheptan-2-yloxymethylbenzene
CID 164583804
[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
CID 11521542
[(1E)-1-(2,2-dimethylpropylidene)-4,4-dimethyl-2-phenylmethoxypent-2-enoxy]methylbenzene
CID 160642303
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
benzyl dodecyl hydrogen phosphite
CID 161198417
benzyl hexyl hydrogen phosphite
CID 174676176

Frequently Asked Questions

What is the IUPAC name of phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid?
The IUPAC name of phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid (CID 143149832) is phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid.
What is the SMILES notation for phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid?
The canonical SMILES for phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid is CC(C)(C)CC(C)(C)P(O)OCc1ccccc1.
What is the InChIKey of phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid?
The InChIKey is CKQWSKXVGXTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2P/c1-14(2,3)12-15(4,5)18(16)17-11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3.
What are the key properties of phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid?
phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid has a molecular weight of 268.34 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid is sourced from PubChem (CID 143149832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).