methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate

C13H16O4 — CID 11528794

IUPACmethyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1c(OC)cc(C(=O)OC)cc1OC
InChIInChI=1S/C13H16O4/c1-8(2)12-10(15-3)6-9(13(14)17-5)7-11(12)16-4/h6-7H,1H2,2-5H3
InChIKeyGIPUOSXYACZQDT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.52
Rot. Bonds4

About methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate

methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate (PubChem CID 11528794) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
PubChem CID11528794
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1c(OC)cc(C(=O)OC)cc1OC
InChIInChI=1S/C13H16O4/c1-8(2)12-10(15-3)6-9(13(14)17-5)7-11(12)16-4/h6-7H,1H2,2-5H3
InChIKeyGIPUOSXYACZQDT-UHFFFAOYSA-N
XLogP2.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
CID 167708846
methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 4-amino-3-methoxybenzoate
CID 602411
ethyl 3-cyano-3-(3,5-dimethoxy-4-prop-1-en-2-ylphenyl)prop-2-enoate
CID 70568141

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate?
The IUPAC name of methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate (CID 11528794) is methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate?
The canonical SMILES for methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate is C=C(C)c1c(OC)cc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate?
The InChIKey is GIPUOSXYACZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8(2)12-10(15-3)6-9(13(14)17-5)7-11(12)16-4/h6-7H,1H2,2-5H3.
What are the key properties of methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate?
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate has a molecular weight of 236.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 11528794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).