2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

C20H30O3 — CID 67418648

IUPAC2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
SMILESC=CCc1ccc(O)c(OC)c1.CC1C(O)CC2CC1C2(C)C
InChIInChI=1S/C10H12O2.C10H18O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-6-8-4-7(5-9(6)11)10(8,2)3/h3,5-7,11H,1,4H2,2H3;6-9,11H,4-5H2,1-3H3
InChIKeyZCDQGOKBYVZMSE-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.18
Rot. Bonds3

About 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol (PubChem CID 67418648) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
PubChem CID67418648
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
SMILESC=CCc1ccc(O)c(OC)c1.CC1C(O)CC2CC1C2(C)C
InChIInChI=1S/C10H12O2.C10H18O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-6-8-4-7(5-9(6)11)10(8,2)3/h3,5-7,11H,1,4H2,2H3;6-9,11H,4-5H2,1-3H3
InChIKeyZCDQGOKBYVZMSE-UHFFFAOYSA-N
XLogP4.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.18
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

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
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CID 175132786
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 69243608
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
2-methoxy-4-prop-2-enylphenol;[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]thiourea
CID 175302142
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The IUPAC name of 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol (CID 67418648) is 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol is C=CCc1ccc(O)c(OC)c1.CC1C(O)CC2CC1C2(C)C.
What is the InChIKey of 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The InChIKey is ZCDQGOKBYVZMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C10H18O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-6-8-4-7(5-9(6)11)10(8,2)3/h3,5-7,11H,1,4H2,2H3;6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol has a molecular weight of 318.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 67418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).