5-methoxy-2-prop-2-enylphenol

C10H12O2 — CID 6424515

IUPAC5-methoxy-2-prop-2-enylphenol
SMILESC=CCc1ccc(OC)cc1O
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(12-2)7-10(8)11/h3,5-7,11H,1,4H2,2H3
InChIKeyMKJJSXMKFUCBAM-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.13
Rot. Bonds3

About 5-methoxy-2-prop-2-enylphenol

5-methoxy-2-prop-2-enylphenol (PubChem CID 6424515) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-methoxy-2-prop-2-enylphenol.

Molecular Properties

Compound Name5-methoxy-2-prop-2-enylphenol
PubChem CID6424515
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-methoxy-2-prop-2-enylphenol
SMILESC=CCc1ccc(OC)cc1O
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(12-2)7-10(8)11/h3,5-7,11H,1,4H2,2H3
InChIKeyMKJJSXMKFUCBAM-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-propylphenol
CID 12836519
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
CID 85093472
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate
CID 15718068
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-prop-2-enylphenol?
The IUPAC name of 5-methoxy-2-prop-2-enylphenol (CID 6424515) is 5-methoxy-2-prop-2-enylphenol.
What is the SMILES notation for 5-methoxy-2-prop-2-enylphenol?
The canonical SMILES for 5-methoxy-2-prop-2-enylphenol is C=CCc1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-prop-2-enylphenol?
The InChIKey is MKJJSXMKFUCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-4-8-5-6-9(12-2)7-10(8)11/h3,5-7,11H,1,4H2,2H3.
What are the key properties of 5-methoxy-2-prop-2-enylphenol?
5-methoxy-2-prop-2-enylphenol has a molecular weight of 164.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-prop-2-enylphenol is sourced from PubChem (CID 6424515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).