prop-1-en-2-yl 4-formylbenzoate

C11H10O3 — CID 11469547

IUPACprop-1-en-2-yl 4-formylbenzoate
SMILESC=C(C)OC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C11H10O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3
InChIKeyBXQSCSLKVPVUBM-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.19
Rot. Bonds3

About prop-1-en-2-yl 4-formylbenzoate

prop-1-en-2-yl 4-formylbenzoate (PubChem CID 11469547) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is prop-1-en-2-yl 4-formylbenzoate.

Molecular Properties

Compound Nameprop-1-en-2-yl 4-formylbenzoate
PubChem CID11469547
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Nameprop-1-en-2-yl 4-formylbenzoate
SMILESC=C(C)OC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C11H10O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3
InChIKeyBXQSCSLKVPVUBM-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-oxopentanoyl 4-formylbenzoate
CID 154968253
ethane;methyl 4-formylbenzoate
CID 91069506
chloro 4-formylbenzoate
CID 54418752
methylamino 4-formylbenzoate
CID 166845078
prop-1-en-2-yl 4-[[3,5-bis[bis(4-prop-1-en-2-yloxycarbonylphenyl)bismuthanyl]phenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)bismuthanyl]benzoate
CID 172714027
benzaldehyde;benzoyl benzoate
CID 160747482
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
4-O-[4-[4-(4-formylbenzoyl)peroxyperoxycarbonylbenzoyl]peroxyperoxycarbonylbenzoyl]peroxy 1-O-methylperoxy benzene-1,4-dicarboperoxoate
CID 154937153
4-formylbenzoic acid;methoxymethane
CID 145138975
prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate
CID 172682306
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 4-formylbenzoate?
The IUPAC name of prop-1-en-2-yl 4-formylbenzoate (CID 11469547) is prop-1-en-2-yl 4-formylbenzoate.
What is the SMILES notation for prop-1-en-2-yl 4-formylbenzoate?
The canonical SMILES for prop-1-en-2-yl 4-formylbenzoate is C=C(C)OC(=O)c1ccc(C=O)cc1.
What is the InChIKey of prop-1-en-2-yl 4-formylbenzoate?
The InChIKey is BXQSCSLKVPVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3.
What are the key properties of prop-1-en-2-yl 4-formylbenzoate?
prop-1-en-2-yl 4-formylbenzoate has a molecular weight of 190.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-formylbenzoate is sourced from PubChem (CID 11469547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).