prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate

C20H18O5 — CID 15686890

IUPACprop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate
SMILESC=CCOC(=O)c1ccccc1C(=O)c1ccc(OCC=C)cc1O
InChIInChI=1S/C20H18O5/c1-3-11-24-14-9-10-17(18(21)13-14)19(22)15-7-5-6-8-16(15)20(23)25-12-4-2/h3-10,13,21H,1-2,11-12H2
InChIKeyLWTKZJYHGIMBRM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.53
Rot. Bonds8

About prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate

prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate (PubChem CID 15686890) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate
PubChem CID15686890
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Nameprop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate
SMILESC=CCOC(=O)c1ccccc1C(=O)c1ccc(OCC=C)cc1O
InChIInChI=1S/C20H18O5/c1-3-11-24-14-9-10-17(18(21)13-14)19(22)15-7-5-6-8-16(15)20(23)25-12-4-2/h3-10,13,21H,1-2,11-12H2
InChIKeyLWTKZJYHGIMBRM-UHFFFAOYSA-N
XLogP3.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
4-(3-carboxy-4-prop-2-enoxycarbonylphenoxy)phthalic acid
CID 67815012
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate?
The IUPAC name of prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate (CID 15686890) is prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate.
What is the SMILES notation for prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate?
The canonical SMILES for prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate is C=CCOC(=O)c1ccccc1C(=O)c1ccc(OCC=C)cc1O.
What is the InChIKey of prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate?
The InChIKey is LWTKZJYHGIMBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-3-11-24-14-9-10-17(18(21)13-14)19(22)15-7-5-6-8-16(15)20(23)25-12-4-2/h3-10,13,21H,1-2,11-12H2.
What are the key properties of prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate?
prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate is sourced from PubChem (CID 15686890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).