(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate

C15H20O3 — CID 93483199

IUPAC(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
SMILESC=CCc1ccc(OC(=O)[C@H](C)CC)c(OC)c1
InChIInChI=1S/C15H20O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5,8-11H,1,6-7H2,2-4H3/t11-/m1/s1
InChIKeySGAQPQHTGWRULN-LLVKDONJSA-N
MW248.32 g/mol
LogP3.38
Rot. Bonds6

About (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate

(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate (PubChem CID 93483199) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
PubChem CID93483199
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
SMILESC=CCc1ccc(OC(=O)[C@H](C)CC)c(OC)c1
InChIInChI=1S/C15H20O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5,8-11H,1,6-7H2,2-4H3/t11-/m1/s1
InChIKeySGAQPQHTGWRULN-LLVKDONJSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate
CID 140764178
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
(2-methoxy-4-prop-2-enylphenyl) (Z)-octadec-9-enoate
CID 67822934
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
(2-methoxy-4-prop-2-enylphenyl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate
CID 53340645

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate (CID 93483199) is (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate is C=CCc1ccc(OC(=O)[C@H](C)CC)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate?
The InChIKey is SGAQPQHTGWRULN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5,8-11H,1,6-7H2,2-4H3/t11-/m1/s1.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate?
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate has a molecular weight of 248.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate is sourced from PubChem (CID 93483199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).