4-(1-diethoxyphosphanyl-2-phenylethyl)phenol

C18H23O3P — CID 142499278

IUPAC4-(1-diethoxyphosphanyl-2-phenylethyl)phenol
SMILESCCOP(OCC)C(Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23O3P/c1-3-20-22(21-4-2)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16/h5-13,18-19H,3-4,14H2,1-2H3
InChIKeyOBQQHDWLLOVDHW-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.06
Rot. Bonds8

About 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol

4-(1-diethoxyphosphanyl-2-phenylethyl)phenol (PubChem CID 142499278) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol.

Molecular Properties

Compound Name4-(1-diethoxyphosphanyl-2-phenylethyl)phenol
PubChem CID142499278
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name4-(1-diethoxyphosphanyl-2-phenylethyl)phenol
SMILESCCOP(OCC)C(Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23O3P/c1-3-20-22(21-4-2)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16/h5-13,18-19H,3-4,14H2,1-2H3
InChIKeyOBQQHDWLLOVDHW-UHFFFAOYSA-N
XLogP5.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloro-2-phenylethyl)phenol;sulfane
CID 67803217
4-(1-phenyl-3-sulfanylpropan-2-yl)phenol;hydrochloride
CID 173351855
4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
CID 67671979
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
(2S)-1-phenyl-2-phenylmethoxypentan-3-one
CID 11807696
4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
2-ethoxy-3-phenylpropanoic acid
CID 54403311
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
CID 86587076
benzyl(diethoxy)phosphane
CID 13274714
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238

Frequently Asked Questions

What is the IUPAC name of 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol?
The IUPAC name of 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol (CID 142499278) is 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol.
What is the SMILES notation for 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol?
The canonical SMILES for 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol is CCOP(OCC)C(Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol?
The InChIKey is OBQQHDWLLOVDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-3-20-22(21-4-2)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16/h5-13,18-19H,3-4,14H2,1-2H3.
What are the key properties of 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol?
4-(1-diethoxyphosphanyl-2-phenylethyl)phenol has a molecular weight of 318.35 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diethoxyphosphanyl-2-phenylethyl)phenol is sourced from PubChem (CID 142499278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).