propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate

C19H20O5 — CID 139223343

IUPACpropan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
SMILESCCc1ccc(O)c(C(=O)c2ccc(O)c(C(=O)OC(C)C)c2)c1
InChIInChI=1S/C19H20O5/c1-4-12-5-7-16(20)14(9-12)18(22)13-6-8-17(21)15(10-13)19(23)24-11(2)3/h5-11,20-21H,4H2,1-3H3
InChIKeyGHQIVIBVABJMJN-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.46
Rot. Bonds5

About propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate

propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate (PubChem CID 139223343) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
PubChem CID139223343
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namepropan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
SMILESCCc1ccc(O)c(C(=O)c2ccc(O)c(C(=O)OC(C)C)c2)c1
InChIInChI=1S/C19H20O5/c1-4-12-5-7-16(20)14(9-12)18(22)13-6-8-17(21)15(10-13)19(23)24-11(2)3/h5-11,20-21H,4H2,1-3H3
InChIKeyGHQIVIBVABJMJN-UHFFFAOYSA-N
XLogP3.46
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
CID 12008335
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
4-(4-carboxy-3-propan-2-yloxycarbonylbenzoyl)-2-propan-2-yloxycarbonylbenzoic acid
CID 54551739
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 11747586
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate?
The IUPAC name of propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate (CID 139223343) is propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate.
What is the SMILES notation for propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate?
The canonical SMILES for propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate is CCc1ccc(O)c(C(=O)c2ccc(O)c(C(=O)OC(C)C)c2)c1.
What is the InChIKey of propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate?
The InChIKey is GHQIVIBVABJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-4-12-5-7-16(20)14(9-12)18(22)13-6-8-17(21)15(10-13)19(23)24-11(2)3/h5-11,20-21H,4H2,1-3H3.
What are the key properties of propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate?
propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate is sourced from PubChem (CID 139223343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).