2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone

C17H15ClO2 — CID 11522072

IUPAC2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone
SMILESO=C(C[C@H]1C[C@]1(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-15-8-6-13(7-9-15)17(20)11-14(17)10-16(19)12-4-2-1-3-5-12/h1-9,14,20H,10-11H2/t14-,17-/m0/s1
InChIKeyKEGWPXJIDPSVOI-YOEHRIQHSA-N
MW286.76 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone

2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone (PubChem CID 11522072) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone
PubChem CID11522072
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone
SMILESO=C(C[C@H]1C[C@]1(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-15-8-6-13(7-9-15)17(20)11-14(17)10-16(19)12-4-2-1-3-5-12/h1-9,14,20H,10-11H2/t14-,17-/m0/s1
InChIKeyKEGWPXJIDPSVOI-YOEHRIQHSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone?
The IUPAC name of 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone (CID 11522072) is 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone.
What is the SMILES notation for 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone?
The canonical SMILES for 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone is O=C(C[C@H]1C[C@]1(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone?
The InChIKey is KEGWPXJIDPSVOI-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-15-8-6-13(7-9-15)17(20)11-14(17)10-16(19)12-4-2-1-3-5-12/h1-9,14,20H,10-11H2/t14-,17-/m0/s1.
What are the key properties of 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone?
2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone has a molecular weight of 286.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone is sourced from PubChem (CID 11522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).