ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc

C12H17OZn- — CID 177478174

IUPACethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
SMILESOC[C@@H]1C[C@H]1c1ccccc1.[CH2-]C.[Zn]
InChIInChI=1S/C10H12O.C2H5.Zn/c11-7-9-6-10(9)8-4-2-1-3-5-8;1-2;/h1-5,9-11H,6-7H2;1H2,2H3;/q;-1;/t9-,10-;;/m0../s1
InChIKeyBELBZIKAMICOSX-BZDVOYDHSA-N
MW242.66 g/mol
LogP2.62
Rot. Bonds2

About ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc

ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc (PubChem CID 177478174) has the molecular formula C12H17OZn- and a molecular weight of 242.66 g/mol. Its IUPAC name is ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc.

Molecular Properties

Compound Nameethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
PubChem CID177478174
Molecular FormulaC12H17OZn-
Molecular Weight242.66 g/mol
Exact Mass241.06
IUPAC Nameethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
SMILESOC[C@@H]1C[C@H]1c1ccccc1.[CH2-]C.[Zn]
InChIInChI=1S/C10H12O.C2H5.Zn/c11-7-9-6-10(9)8-4-2-1-3-5-8;1-2;/h1-5,9-11H,6-7H2;1H2,2H3;/q;-1;/t9-,10-;;/m0../s1
InChIKeyBELBZIKAMICOSX-BZDVOYDHSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
CID 123628380
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062

Frequently Asked Questions

What is the IUPAC name of ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc?
The IUPAC name of ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc (CID 177478174) is ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc.
What is the SMILES notation for ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc?
The canonical SMILES for ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc is OC[C@@H]1C[C@H]1c1ccccc1.[CH2-]C.[Zn].
What is the InChIKey of ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc?
The InChIKey is BELBZIKAMICOSX-BZDVOYDHSA-N. The full InChI is InChI=1S/C10H12O.C2H5.Zn/c11-7-9-6-10(9)8-4-2-1-3-5-8;1-2;/h1-5,9-11H,6-7H2;1H2,2H3;/q;-1;/t9-,10-;;/m0../s1.
What are the key properties of ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc?
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc has a molecular weight of 242.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc is sourced from PubChem (CID 177478174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).