[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate

C18H24O5 — CID 11255661

IUPAC[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate
SMILESO=C(O[C@@H]1C[C@H](OC2CCCCO2)C[C@H]1CO)c1ccccc1
InChIInChI=1S/C18H24O5/c19-12-14-10-15(22-17-8-4-5-9-21-17)11-16(14)23-18(20)13-6-2-1-3-7-13/h1-3,6-7,14-17,19H,4-5,8-12H2/t14-,15+,16+,17?/m0/s1
InChIKeyURIZQCWMJLNZNN-MYAYHUAGSA-N
MW320.38 g/mol
LogP2.53
Rot. Bonds5

About [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate

[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate (PubChem CID 11255661) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate
PubChem CID11255661
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate
SMILESO=C(O[C@@H]1C[C@H](OC2CCCCO2)C[C@H]1CO)c1ccccc1
InChIInChI=1S/C18H24O5/c19-12-14-10-15(22-17-8-4-5-9-21-17)11-16(14)23-18(20)13-6-2-1-3-7-13/h1-3,6-7,14-17,19H,4-5,8-12H2/t14-,15+,16+,17?/m0/s1
InChIKeyURIZQCWMJLNZNN-MYAYHUAGSA-N
XLogP2.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(oxan-2-yloxy)octyl benzoate
CID 11551737
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
[4-benzoyloxy-5-(hydroxymethyl)oxolan-3-yl] benzoate
CID 123161698
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
[(4S,5R)-2,5-dibenzoyloxyoxan-4-yl] benzoate
CID 14079539
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
(2S)-1-[(2S)-2-(hydroxymethyl)-4-(oxan-2-yloxy)pyrrolidin-1-yl]-2-(methylamino)-2-phenylethanone
CID 139298474
(2S,4S)-2-(hydroxymethyl)-4-(oxan-2-yloxy)pyrrolidine-1-carboxylic acid
CID 66670631
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
7-[(1R,2S,3R,5S)-2-(hydroxymethyl)-5-(oxan-2-yloxy)-3-phenylmethoxycyclopentyl]heptanoic acid
CID 121447711
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate?
The IUPAC name of [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate (CID 11255661) is [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate.
What is the SMILES notation for [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate?
The canonical SMILES for [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate is O=C(O[C@@H]1C[C@H](OC2CCCCO2)C[C@H]1CO)c1ccccc1.
What is the InChIKey of [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate?
The InChIKey is URIZQCWMJLNZNN-MYAYHUAGSA-N. The full InChI is InChI=1S/C18H24O5/c19-12-14-10-15(22-17-8-4-5-9-21-17)11-16(14)23-18(20)13-6-2-1-3-7-13/h1-3,6-7,14-17,19H,4-5,8-12H2/t14-,15+,16+,17?/m0/s1.
What are the key properties of [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate?
[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate has a molecular weight of 320.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate is sourced from PubChem (CID 11255661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).