methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate

C12H14O3 — CID 23294752

IUPACmethyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
SMILESCOC/C=C/c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H14O3/c1-14-9-3-4-10-5-7-11(8-6-10)12(13)15-2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyYZZIVEQKAQOSEW-ONEGZZNKSA-N
MW206.24 g/mol
LogP2.13
Rot. Bonds4

About methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate

methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate (PubChem CID 23294752) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
PubChem CID23294752
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
SMILESCOC/C=C/c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H14O3/c1-14-9-3-4-10-5-7-11(8-6-10)12(13)15-2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyYZZIVEQKAQOSEW-ONEGZZNKSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-but-1-enylbenzoate
CID 69135322
methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate
CID 57456870
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
methyl 4-[(E)-5-bromopent-1-enyl]benzoate
CID 21108951
methyl 4-(6-hydroxyhex-1-enyl)benzoate
CID 67163381
methyl 4-[(E)-4-methoxy-3-oxobut-1-enyl]benzoate
CID 134965384
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
N-(diaminomethylidene)-4-(3-methoxyprop-1-enyl)benzamide
CID 91208842
methyl 4-[(1Z,3Z)-4-chlorobuta-1,3-dienyl]benzoate
CID 177400447
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate (CID 23294752) is methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate is COC/C=C/c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate?
The InChIKey is YZZIVEQKAQOSEW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-9-3-4-10-5-7-11(8-6-10)12(13)15-2/h3-8H,9H2,1-2H3/b4-3+.
What are the key properties of methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate?
methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate has a molecular weight of 206.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate is sourced from PubChem (CID 23294752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).