2-hydroxyhexyl 2-benzoylbenzoate

C20H22O4 — CID 155068883

IUPAC2-hydroxyhexyl 2-benzoylbenzoate
SMILESCCCCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-2-3-11-16(21)14-24-20(23)18-13-8-7-12-17(18)19(22)15-9-5-4-6-10-15/h4-10,12-13,16,21H,2-3,11,14H2,1H3
InChIKeyWCQZZMIRONXLTL-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.63
Rot. Bonds8

About 2-hydroxyhexyl 2-benzoylbenzoate

2-hydroxyhexyl 2-benzoylbenzoate (PubChem CID 155068883) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-hydroxyhexyl 2-benzoylbenzoate.

Molecular Properties

Compound Name2-hydroxyhexyl 2-benzoylbenzoate
PubChem CID155068883
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-hydroxyhexyl 2-benzoylbenzoate
SMILESCCCCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-2-3-11-16(21)14-24-20(23)18-13-8-7-12-17(18)19(22)15-9-5-4-6-10-15/h4-10,12-13,16,21H,2-3,11,14H2,1H3
InChIKeyWCQZZMIRONXLTL-UHFFFAOYSA-N
XLogP3.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
[2-(2-hydroxydodecoxy)phenyl]-phenylmethanone
CID 54446006
[2-hydroxy-3-(2-methylprop-2-enoxy)propyl] 2-benzoylbenzoate
CID 91122512
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
[3-(2-butoxybenzoyl)oxy-2-hydroxypropyl] 2-butoxybenzoate
CID 71171913
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
1-O-(2-hydroxypentyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 87264086
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhexyl 2-benzoylbenzoate?
The IUPAC name of 2-hydroxyhexyl 2-benzoylbenzoate (CID 155068883) is 2-hydroxyhexyl 2-benzoylbenzoate.
What is the SMILES notation for 2-hydroxyhexyl 2-benzoylbenzoate?
The canonical SMILES for 2-hydroxyhexyl 2-benzoylbenzoate is CCCCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxyhexyl 2-benzoylbenzoate?
The InChIKey is WCQZZMIRONXLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-2-3-11-16(21)14-24-20(23)18-13-8-7-12-17(18)19(22)15-9-5-4-6-10-15/h4-10,12-13,16,21H,2-3,11,14H2,1H3.
What are the key properties of 2-hydroxyhexyl 2-benzoylbenzoate?
2-hydroxyhexyl 2-benzoylbenzoate has a molecular weight of 326.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhexyl 2-benzoylbenzoate is sourced from PubChem (CID 155068883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).