2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol

C12H16O3 — CID 22375149

IUPAC2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(CO)c(O)c(COC)c1
InChIInChI=1S/C12H16O3/c1-3-4-9-5-10(7-13)12(14)11(6-9)8-15-2/h3,5-6,13-14H,1,4,7-8H2,2H3
InChIKeySJNZAQFRZZEJKO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.76
Rot. Bonds5

About 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol

2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol (PubChem CID 22375149) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol
PubChem CID22375149
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(CO)c(O)c(COC)c1
InChIInChI=1S/C12H16O3/c1-3-4-9-5-10(7-13)12(14)11(6-9)8-15-2/h3,5-6,13-14H,1,4,7-8H2,2H3
InChIKeySJNZAQFRZZEJKO-UHFFFAOYSA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
2,6-dihexyl-4-prop-2-enylphenol
CID 19799403
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol (CID 22375149) is 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol is C=CCc1cc(CO)c(O)c(COC)c1.
What is the InChIKey of 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol?
The InChIKey is SJNZAQFRZZEJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-4-9-5-10(7-13)12(14)11(6-9)8-15-2/h3,5-6,13-14H,1,4,7-8H2,2H3.
What are the key properties of 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol?
2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol has a molecular weight of 208.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(methoxymethyl)-4-prop-2-enylphenol is sourced from PubChem (CID 22375149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).