(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate

C20H20O5 — CID 54070858

IUPAC(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
SMILESCC1(O)CC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1
InChIInChI=1S/C20H20O5/c1-20(23)12-16(24-18(21)14-8-4-2-5-9-14)17(13-20)25-19(22)15-10-6-3-7-11-15/h2-11,16-17,23H,12-13H2,1H3
InChIKeyMGIGKBAXJWXTFJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds4

About (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate

(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate (PubChem CID 54070858) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
PubChem CID54070858
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
SMILESCC1(O)CC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1
InChIInChI=1S/C20H20O5/c1-20(23)12-16(24-18(21)14-8-4-2-5-9-14)17(13-20)25-19(22)15-10-6-3-7-11-15/h2-11,16-17,23H,12-13H2,1H3
InChIKeyMGIGKBAXJWXTFJ-UHFFFAOYSA-N
XLogP2.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(1R,2S,3S,5R,7S,8S,9R)-3-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl] benzoate
CID 98509808
[4-(hydroxymethyl)-2-bicyclo[2.1.1]hexanyl] benzoate
CID 146435073
[(1R,2S,5R)-2-benzoyloxy-5-hydroxy-5-methoxycarbonyl-3-oxocyclohexyl] benzoate
CID 11090926
[(1S,2S)-2-methyl-3-oxocyclobutyl] benzoate
CID 176887724
[2-amino-5-hydroxy-5-(trifluoromethyl)cyclohexyl] benzoate
CID 163295017
(3-methoxy-2,2,4,4-tetramethylcyclobutyl) benzoate
CID 118321450
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate?
The IUPAC name of (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate (CID 54070858) is (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate.
What is the SMILES notation for (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate?
The canonical SMILES for (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate is CC1(O)CC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1.
What is the InChIKey of (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate?
The InChIKey is MGIGKBAXJWXTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-20(23)12-16(24-18(21)14-8-4-2-5-9-14)17(13-20)25-19(22)15-10-6-3-7-11-15/h2-11,16-17,23H,12-13H2,1H3.
What are the key properties of (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate?
(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate is sourced from PubChem (CID 54070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).