4-(diethylphosphorylmethyl)phenol

C11H17O2P — CID 57315112

IUPAC4-(diethylphosphorylmethyl)phenol
SMILESCCP(=O)(CC)Cc1ccc(O)cc1
InChIInChI=1S/C11H17O2P/c1-3-14(13,4-2)9-10-5-7-11(12)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyIZPUBEHJJSSNCI-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.30
Rot. Bonds4

About 4-(diethylphosphorylmethyl)phenol

4-(diethylphosphorylmethyl)phenol (PubChem CID 57315112) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-(diethylphosphorylmethyl)phenol.

Molecular Properties

Compound Name4-(diethylphosphorylmethyl)phenol
PubChem CID57315112
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name4-(diethylphosphorylmethyl)phenol
SMILESCCP(=O)(CC)Cc1ccc(O)cc1
InChIInChI=1S/C11H17O2P/c1-3-14(13,4-2)9-10-5-7-11(12)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyIZPUBEHJJSSNCI-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.30
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

ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
ethane;4-ethylphenol;formaldehyde
CID 131698499
tris(4-nonylphenol);phosphoric acid
CID 71361187
magnesium;4-ethylphenol;hydride
CID 174425334
sodium;4-ethylphenol;hydroxide
CID 160913882
benzene-1,4-diol;phosphoric acid
CID 87092335
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
butan-2-yloxy-[[4-(4-hydroxyphenyl)sulfanylphenyl]methyl]phosphinic acid
CID 87175755
N-ethyl-N-[(4-hydroxyphenyl)methyl]acetamide
CID 20594014
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101

Frequently Asked Questions

What is the IUPAC name of 4-(diethylphosphorylmethyl)phenol?
The IUPAC name of 4-(diethylphosphorylmethyl)phenol (CID 57315112) is 4-(diethylphosphorylmethyl)phenol.
What is the SMILES notation for 4-(diethylphosphorylmethyl)phenol?
The canonical SMILES for 4-(diethylphosphorylmethyl)phenol is CCP(=O)(CC)Cc1ccc(O)cc1.
What is the InChIKey of 4-(diethylphosphorylmethyl)phenol?
The InChIKey is IZPUBEHJJSSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-3-14(13,4-2)9-10-5-7-11(12)8-6-10/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 4-(diethylphosphorylmethyl)phenol?
4-(diethylphosphorylmethyl)phenol has a molecular weight of 212.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylphosphorylmethyl)phenol is sourced from PubChem (CID 57315112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).