dioxomanganese;3-methyl-2-prop-2-enylphenol

C10H12MnO3 — CID 175262810

IUPACdioxomanganese;3-methyl-2-prop-2-enylphenol
SMILESC=CCc1c(C)cccc1O.O=[Mn]=O
InChIInChI=1S/C10H12O.Mn.2O/c1-3-5-9-8(2)6-4-7-10(9)11;;;/h3-4,6-7,11H,1,5H2,2H3;;;
InChIKeyGUGWDXITAHWBOQ-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.19
Rot. Bonds2

About dioxomanganese;3-methyl-2-prop-2-enylphenol

dioxomanganese;3-methyl-2-prop-2-enylphenol (PubChem CID 175262810) has the molecular formula C10H12MnO3 and a molecular weight of 235.14 g/mol. Its IUPAC name is dioxomanganese;3-methyl-2-prop-2-enylphenol.

Molecular Properties

Compound Namedioxomanganese;3-methyl-2-prop-2-enylphenol
PubChem CID175262810
Molecular FormulaC10H12MnO3
Molecular Weight235.14 g/mol
Exact Mass235.02
IUPAC Namedioxomanganese;3-methyl-2-prop-2-enylphenol
SMILESC=CCc1c(C)cccc1O.O=[Mn]=O
InChIInChI=1S/C10H12O.Mn.2O/c1-3-5-9-8(2)6-4-7-10(9)11;;;/h3-4,6-7,11H,1,5H2,2H3;;;
InChIKeyGUGWDXITAHWBOQ-UHFFFAOYSA-N
XLogP2.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-3-propylphenol
CID 19877308
2-(hydroxymethyl)-3-methylphenol
CID 10997099
1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
CID 174515544
1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518
2-butyl-3-methylphenol
CID 174788119
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
2-iodo-1,4-dimethyl-3-prop-2-enylbenzene
CID 129267605
3-prop-2-enyl-2-propylphenol
CID 139705767
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol
CID 70435602
3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde
CID 174409044
4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
CID 174558136

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;3-methyl-2-prop-2-enylphenol?
The IUPAC name of dioxomanganese;3-methyl-2-prop-2-enylphenol (CID 175262810) is dioxomanganese;3-methyl-2-prop-2-enylphenol.
What is the SMILES notation for dioxomanganese;3-methyl-2-prop-2-enylphenol?
The canonical SMILES for dioxomanganese;3-methyl-2-prop-2-enylphenol is C=CCc1c(C)cccc1O.O=[Mn]=O.
What is the InChIKey of dioxomanganese;3-methyl-2-prop-2-enylphenol?
The InChIKey is GUGWDXITAHWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.Mn.2O/c1-3-5-9-8(2)6-4-7-10(9)11;;;/h3-4,6-7,11H,1,5H2,2H3;;;.
What are the key properties of dioxomanganese;3-methyl-2-prop-2-enylphenol?
dioxomanganese;3-methyl-2-prop-2-enylphenol has a molecular weight of 235.14 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomanganese;3-methyl-2-prop-2-enylphenol is sourced from PubChem (CID 175262810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).