[(1S,2R)-2-phenylcyclopropyl]methyl benzoate

C17H16O2 — CID 135011727

IUPAC[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
SMILESO=C(OC[C@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(14-9-5-2-6-10-14)19-12-15-11-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyYLSUHQITAXBVQP-CVEARBPZSA-N
MW252.31 g/mol
LogP3.65
Rot. Bonds4

About [(1S,2R)-2-phenylcyclopropyl]methyl benzoate

[(1S,2R)-2-phenylcyclopropyl]methyl benzoate (PubChem CID 135011727) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(1S,2R)-2-phenylcyclopropyl]methyl benzoate.

Molecular Properties

Compound Name[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
PubChem CID135011727
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
SMILESO=C(OC[C@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(14-9-5-2-6-10-14)19-12-15-11-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyYLSUHQITAXBVQP-CVEARBPZSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836
[(1S,2R,4R)-5-oxabicyclo[2.1.0]pentan-2-yl]methyl benzoate
CID 14796869
[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
CID 140504984
[(1R,2R,5S,6S)-5-amino-2-bicyclo[4.1.0]heptanyl]methyl benzoate
CID 122213076
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
(3-oxocyclobutyl)methyl benzoate
CID 15531476
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-phenylcyclopropyl]methyl benzoate?
The IUPAC name of [(1S,2R)-2-phenylcyclopropyl]methyl benzoate (CID 135011727) is [(1S,2R)-2-phenylcyclopropyl]methyl benzoate.
What is the SMILES notation for [(1S,2R)-2-phenylcyclopropyl]methyl benzoate?
The canonical SMILES for [(1S,2R)-2-phenylcyclopropyl]methyl benzoate is O=C(OC[C@H]1C[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-phenylcyclopropyl]methyl benzoate?
The InChIKey is YLSUHQITAXBVQP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(14-9-5-2-6-10-14)19-12-15-11-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-phenylcyclopropyl]methyl benzoate?
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate has a molecular weight of 252.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-phenylcyclopropyl]methyl benzoate is sourced from PubChem (CID 135011727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).