4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol

C15H15O2P — CID 68574518

IUPAC4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol
SMILESC=CC(P)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H15O2P/c1-2-15(18,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,16-17H,1,18H2
InChIKeyQBAVRBUMOOCWOY-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.40
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol

4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol (PubChem CID 68574518) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol
PubChem CID68574518
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol
SMILESC=CC(P)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H15O2P/c1-2-15(18,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,16-17H,1,18H2
InChIKeyQBAVRBUMOOCWOY-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol
CID 22765164
(4-hydroxyphenyl)methanetriol
CID 57197766
4-buta-1,3-dien-2-ylphenol
CID 88757027
ethane;ethene;4-ethenylphenol
CID 178000559
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-tert-butylphenol;cobalt
CID 174380967
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-(trichloromethyl)phenol
CID 21200855

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol (CID 68574518) is 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol is C=CC(P)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol?
The InChIKey is QBAVRBUMOOCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-2-15(18,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,16-17H,1,18H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol?
4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol has a molecular weight of 258.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol is sourced from PubChem (CID 68574518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).