pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol

C54H60O12 — CID 161269415

IUPACpentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol
SMILESC=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C([18OH])Cc1ccc(O)cc1
InChIInChI=1S/6C9H10O2/c6*1-7(10)6-8-2-4-9(11)5-3-8/h6*2-5,10-11H,1,6H2/i10+2;;;;;
InChIKeyVDPRCWAONWTYEB-SAJYWENJSA-N
MW903.06 g/mol
LogP12.04
Rot. Bonds12

About pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol

pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol (PubChem CID 161269415) has the molecular formula C54H60O12 and a molecular weight of 903.06 g/mol. Its IUPAC name is pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol.

Molecular Properties

Compound Namepentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol
PubChem CID161269415
Molecular FormulaC54H60O12
Molecular Weight903.06 g/mol
Exact Mass902.41
IUPAC Namepentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol
SMILESC=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C([18OH])Cc1ccc(O)cc1
InChIInChI=1S/6C9H10O2/c6*1-7(10)6-8-2-4-9(11)5-3-8/h6*2-5,10-11H,1,6H2/i10+2;;;;;
InChIKeyVDPRCWAONWTYEB-SAJYWENJSA-N
XLogP12.04
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500903.06
LogP ≤ 512.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)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-(2-aminoprop-2-enyl)phenol
CID 20758770
4-(2-aminoprop-2-enyl)phenol;carbonic acid
CID 158851238
1,3-bis(4-hydroxyphenyl)propane-2-thione
CID 88666976
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
4-(hydroxymethyl)phenol;hydrate
CID 141133894
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
3-(2-hydroxyprop-2-enyl)phenol
CID 89392909
4-(hydroxymethyl)phenol;phenol
CID 141229785
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
3-(4-hydroxyphenyl)-2-sulfanylidenepropanoic acid
CID 51059361
1-(4-hydroxyphenyl)propan-2-one
CID 7019274

Frequently Asked Questions

What is the IUPAC name of pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol?
The IUPAC name of pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol (CID 161269415) is pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol.
What is the SMILES notation for pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol?
The canonical SMILES for pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol is C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C(O)Cc1ccc(O)cc1.C=C([18OH])Cc1ccc(O)cc1.
What is the InChIKey of pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol?
The InChIKey is VDPRCWAONWTYEB-SAJYWENJSA-N. The full InChI is InChI=1S/6C9H10O2/c6*1-7(10)6-8-2-4-9(11)5-3-8/h6*2-5,10-11H,1,6H2/i10+2;;;;;.
What are the key properties of pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol?
pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol has a molecular weight of 903.06 g/mol, XLogP of 12.04, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol is sourced from PubChem (CID 161269415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).