1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene

C10H12O2 — CID 123654669

IUPAC1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
SMILES[2H]Oc1ccc(CC=C)cc1OC
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3/i/hD
InChIKeyRRAFCDWBNXTKKO-DYCDLGHISA-N
MW165.21 g/mol
LogP2.13
Rot. Bonds4

About 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene

1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene (PubChem CID 123654669) has the molecular formula C10H12O2 and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
PubChem CID123654669
Molecular FormulaC10H12O2
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
SMILES[2H]Oc1ccc(CC=C)cc1OC
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3/i/hD
InChIKeyRRAFCDWBNXTKKO-DYCDLGHISA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
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

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724

Frequently Asked Questions

What is the IUPAC name of 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene (CID 123654669) is 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene is [2H]Oc1ccc(CC=C)cc1OC.
What is the InChIKey of 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is RRAFCDWBNXTKKO-DYCDLGHISA-N. The full InChI is InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3/i/hD.
What are the key properties of 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene?
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 165.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 123654669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).