formyl 3-(4-methoxyphenyl)propanoate

C11H12O4 — CID 174628635

IUPACformyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC=O)cc1
InChIInChI=1S/C11H12O4/c1-14-10-5-2-9(3-6-10)4-7-11(13)15-8-12/h2-3,5-6,8H,4,7H2,1H3
InChIKeyYARKGZGJAFHRBU-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.33
Rot. Bonds5

About formyl 3-(4-methoxyphenyl)propanoate

formyl 3-(4-methoxyphenyl)propanoate (PubChem CID 174628635) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is formyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameformyl 3-(4-methoxyphenyl)propanoate
PubChem CID174628635
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameformyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC=O)cc1
InChIInChI=1S/C11H12O4/c1-14-10-5-2-9(3-6-10)4-7-11(13)15-8-12/h2-3,5-6,8H,4,7H2,1H3
InChIKeyYARKGZGJAFHRBU-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

formyl 3-(4-bromophenyl)propanoate
CID 89038057
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320

Frequently Asked Questions

What is the IUPAC name of formyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of formyl 3-(4-methoxyphenyl)propanoate (CID 174628635) is formyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for formyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for formyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OC=O)cc1.
What is the InChIKey of formyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is YARKGZGJAFHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-10-5-2-9(3-6-10)4-7-11(13)15-8-12/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of formyl 3-(4-methoxyphenyl)propanoate?
formyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 208.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 174628635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).