[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol

C12H16O — CID 46702611

IUPAC[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
SMILESCC[C@@H]1C[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H16O/c1-2-10-8-12(10,9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyRPCVANNWQLRRPT-ZYHUDNBSSA-N
MW176.26 g/mol
LogP2.35
Rot. Bonds3

About [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol

[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol (PubChem CID 46702611) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
PubChem CID46702611
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
SMILESCC[C@@H]1C[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H16O/c1-2-10-8-12(10,9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyRPCVANNWQLRRPT-ZYHUDNBSSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethyl-1-prop-1-en-2-ylcyclopropyl)benzene
CID 143150696
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62707852
3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498
[1-(4-chlorophenyl)-2-methylcyclopropyl]methanol
CID 116842443
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
[(1R)-2-fluoro-1-phenylcyclopropyl]methanamine
CID 126843009
[2-(2-aminopropan-2-yl)-2-phenylcyclopropyl]methanol
CID 171718951

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol (CID 46702611) is [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol is CC[C@@H]1C[C@]1(CO)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol?
The InChIKey is RPCVANNWQLRRPT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16O/c1-2-10-8-12(10,9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol?
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol has a molecular weight of 176.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol is sourced from PubChem (CID 46702611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).