[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate

C15H20O4 — CID 11807544

IUPAC[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@@H]1C[C@@H]1[C@](C)(O)CO
InChIInChI=1S/C15H20O4/c1-10(17)19-14(11-6-4-3-5-7-11)12-8-13(12)15(2,18)9-16/h3-7,12-14,16,18H,8-9H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyHNRFHBZTLPXYHB-LXTVHRRPSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds5

About [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate

[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate (PubChem CID 11807544) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate
PubChem CID11807544
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@@H]1C[C@@H]1[C@](C)(O)CO
InChIInChI=1S/C15H20O4/c1-10(17)19-14(11-6-4-3-5-7-11)12-8-13(12)15(2,18)9-16/h3-7,12-14,16,18H,8-9H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyHNRFHBZTLPXYHB-LXTVHRRPSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[phenyl-(2-phenylcyclopropyl)methyl] acetate
CID 13252851
[(R)-[(1R,2S)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 11879476
[(R)-[(1S,2R)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 6543196
[cyclopropyl-(4-phenylphenyl)methyl] acetate
CID 540182
[(2R,4S)-4-acetyloxy-2-hydroxy-2-methyl-4-phenylbutyl] acetate
CID 134934696
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1S)-1-phenylpentyl] acetate
CID 12651064
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
benzhydryl acetate;hydrazine
CID 122610283
[(2-acetylcyclohexyl)-phenylmethyl] carbamate
CID 151696114
[(S)-[(1R,2S,3R)-5-(2-adamantylidene)-2,3-dihydroxycyclopentyl]-phenylmethyl] acetate
CID 102198240

Frequently Asked Questions

What is the IUPAC name of [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate (CID 11807544) is [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate is CC(=O)O[C@H](c1ccccc1)[C@@H]1C[C@@H]1[C@](C)(O)CO.
What is the InChIKey of [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate?
The InChIKey is HNRFHBZTLPXYHB-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(17)19-14(11-6-4-3-5-7-11)12-8-13(12)15(2,18)9-16/h3-7,12-14,16,18H,8-9H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate?
[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate has a molecular weight of 264.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate is sourced from PubChem (CID 11807544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).