phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol

C30H30O4 — CID 157279728

IUPACphenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
SMILESC=CCc1cc(Oc2ccccc2)ccc1O.C=CCc1ccccc1O.Oc1ccccc1
InChIInChI=1S/C15H14O2.C9H10O.C6H6O/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13;1-2-5-8-6-3-4-7-9(8)10;7-6-4-2-1-3-5-6/h2-5,7-11,16H,1,6H2;2-4,6-7,10H,1,5H2;1-5,7H
InChIKeyAZNGBPWWVDRZGE-UHFFFAOYSA-N
MW454.57 g/mol
LogP7.43
Rot. Bonds6

About phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol

phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol (PubChem CID 157279728) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol.

Molecular Properties

Compound Namephenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
PubChem CID157279728
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Namephenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
SMILESC=CCc1cc(Oc2ccccc2)ccc1O.C=CCc1ccccc1O.Oc1ccccc1
InChIInChI=1S/C15H14O2.C9H10O.C6H6O/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13;1-2-5-8-6-3-4-7-9(8)10;7-6-4-2-1-3-5-6/h2-5,7-11,16H,1,6H2;2-4,6-7,10H,1,5H2;1-5,7H
InChIKeyAZNGBPWWVDRZGE-UHFFFAOYSA-N
XLogP7.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol 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-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-[4-hydroxy-3-[(4-hydroxy-3-prop-2-enylphenyl)methyl]phenoxy]-2-[(4-hydroxyphenyl)methyl]-6-prop-2-enylphenol
CID 57028938
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
boric acid;2-prop-2-enylphenol
CID 70457137
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
2-[2-(methylamino)ethyl]-4-phenoxyphenol
CID 82552120
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
5-methoxy-2-prop-2-enylphenol
CID 6424515
ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate
CID 15718068
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
CID 142194063

Frequently Asked Questions

What is the IUPAC name of phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol?
The IUPAC name of phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol (CID 157279728) is phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol.
What is the SMILES notation for phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol?
The canonical SMILES for phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol is C=CCc1cc(Oc2ccccc2)ccc1O.C=CCc1ccccc1O.Oc1ccccc1.
What is the InChIKey of phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol?
The InChIKey is AZNGBPWWVDRZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C9H10O.C6H6O/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13;1-2-5-8-6-3-4-7-9(8)10;7-6-4-2-1-3-5-6/h2-5,7-11,16H,1,6H2;2-4,6-7,10H,1,5H2;1-5,7H.
What are the key properties of phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol?
phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol has a molecular weight of 454.57 g/mol, XLogP of 7.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol is sourced from PubChem (CID 157279728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).