(3-methoxyphenyl) but-3-enoate

C11H12O3 — CID 70109431

IUPAC(3-methoxyphenyl) but-3-enoate
SMILESC=CCC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C11H12O3/c1-3-5-11(12)14-10-7-4-6-9(8-10)13-2/h3-4,6-8H,1,5H2,2H3
InChIKeyVHDFNKVZCBEKCJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.18
Rot. Bonds4

About (3-methoxyphenyl) but-3-enoate

(3-methoxyphenyl) but-3-enoate (PubChem CID 70109431) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3-methoxyphenyl) but-3-enoate.

Molecular Properties

Compound Name(3-methoxyphenyl) but-3-enoate
PubChem CID70109431
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3-methoxyphenyl) but-3-enoate
SMILESC=CCC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C11H12O3/c1-3-5-11(12)14-10-7-4-6-9(8-10)13-2/h3-4,6-8H,1,5H2,2H3
InChIKeyVHDFNKVZCBEKCJ-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.18
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

(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
(3-hex-3-enoyloxyphenyl) hex-3-enoate
CID 118415201
methyl 4-but-3-enoyloxybenzoate
CID 139889158
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(Z)-4-(3-methoxyphenoxy)-4-oxobut-2-enoic acid
CID 21203952
2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
CID 155520332
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
1-(3-propan-2-yloxyphenyl)but-3-en-1-one
CID 116659453
(3-methoxyphenyl) 3-ethoxyprop-2-enoate
CID 131843622

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) but-3-enoate?
The IUPAC name of (3-methoxyphenyl) but-3-enoate (CID 70109431) is (3-methoxyphenyl) but-3-enoate.
What is the SMILES notation for (3-methoxyphenyl) but-3-enoate?
The canonical SMILES for (3-methoxyphenyl) but-3-enoate is C=CCC(=O)Oc1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl) but-3-enoate?
The InChIKey is VHDFNKVZCBEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-5-11(12)14-10-7-4-6-9(8-10)13-2/h3-4,6-8H,1,5H2,2H3.
What are the key properties of (3-methoxyphenyl) but-3-enoate?
(3-methoxyphenyl) but-3-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) but-3-enoate is sourced from PubChem (CID 70109431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).