actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol

C10H12AcO2 — CID 20669248

IUPACactinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol
SMILESC=C(CO)c1ccc(O)cc1C.[Ac]
InChIInChI=1S/C10H12O2.Ac/c1-7-5-9(12)3-4-10(7)8(2)6-11;/h3-5,11-12H,2,6H2,1H3;
InChIKeyCLXSVQNJKYDHLQ-UHFFFAOYSA-N
MW391.20 g/mol
LogP1.71
Rot. Bonds2

About actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol

actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol (PubChem CID 20669248) has the molecular formula C10H12AcO2 and a molecular weight of 391.20 g/mol. Its IUPAC name is actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol.

Molecular Properties

Compound Nameactinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol
PubChem CID20669248
Molecular FormulaC10H12AcO2
Molecular Weight391.20 g/mol
Exact Mass391.11
IUPAC Nameactinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol
SMILESC=C(CO)c1ccc(O)cc1C.[Ac]
InChIInChI=1S/C10H12O2.Ac/c1-7-5-9(12)3-4-10(7)8(2)6-11;/h3-5,11-12H,2,6H2,1H3;
InChIKeyCLXSVQNJKYDHLQ-UHFFFAOYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol?
The IUPAC name of actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol (CID 20669248) is actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol.
What is the SMILES notation for actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol?
The canonical SMILES for actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol is C=C(CO)c1ccc(O)cc1C.[Ac].
What is the InChIKey of actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol?
The InChIKey is CLXSVQNJKYDHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.Ac/c1-7-5-9(12)3-4-10(7)8(2)6-11;/h3-5,11-12H,2,6H2,1H3;.
What are the key properties of actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol?
actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol has a molecular weight of 391.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-(3-hydroxyprop-1-en-2-yl)-3-methylphenol is sourced from PubChem (CID 20669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).