[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate

C22H26O6 — CID 132850623

IUPAC[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate
SMILESCCC[C@@H](OC(=O)c1ccc(O)cc1)[C@H](CC)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C22H26O6/c1-3-5-20(28-22(26)17-8-12-19(24)13-9-17)15(4-2)14-27-21(25)16-6-10-18(23)11-7-16/h6-13,15,20,23-24H,3-5,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyYAUDIDRFMBKVPS-FOIQADDNSA-N
MW386.44 g/mol
LogP4.31
Rot. Bonds9

About [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate

[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate (PubChem CID 132850623) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate
PubChem CID132850623
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate
SMILESCCC[C@@H](OC(=O)c1ccc(O)cc1)[C@H](CC)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C22H26O6/c1-3-5-20(28-22(26)17-8-12-19(24)13-9-17)15(4-2)14-27-21(25)16-6-10-18(23)11-7-16/h6-13,15,20,23-24H,3-5,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyYAUDIDRFMBKVPS-FOIQADDNSA-N
XLogP4.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-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

(3-benzoyloxy-2-propylhexyl) benzoate
CID 23125834
bis(6-ethyltridecan-7-yl) benzene-1,4-dicarboxylate
CID 122459016
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
2-decyltetradecyl 4-hydroxybenzoate
CID 22356700
(5-benzoyloxy-6-ethyloctan-4-yl) benzoate
CID 141207306
1-hydroxybutan-2-yl 4-hydroxybenzoate
CID 175013058
2-fluoroheptyl 4-hydroxybenzoate
CID 71341169
2-methylbutyl 4-[(4-hydroxyphenyl)diazenyl]benzoate
CID 176756039
4-O-(4-methylheptan-3-yl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730754
propyl 4-hydroxybenzoate
CID 66683808
[(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethylheptyl] benzoate
CID 10672518
2-chlorobutyl 4-(4-hydroxyphenyl)benzoate
CID 139679168

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate?
The IUPAC name of [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate (CID 132850623) is [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate.
What is the SMILES notation for [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate?
The canonical SMILES for [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate is CCC[C@@H](OC(=O)c1ccc(O)cc1)[C@H](CC)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate?
The InChIKey is YAUDIDRFMBKVPS-FOIQADDNSA-N. The full InChI is InChI=1S/C22H26O6/c1-3-5-20(28-22(26)17-8-12-19(24)13-9-17)15(4-2)14-27-21(25)16-6-10-18(23)11-7-16/h6-13,15,20,23-24H,3-5,14H2,1-2H3/t15-,20-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate?
[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate has a molecular weight of 386.44 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate is sourced from PubChem (CID 132850623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).