[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol

C12H14O — CID 102252022

IUPAC[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol
SMILESC=C1[C@@H](C)[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H14O/c1-9-10(2)12(9,8-13)11-6-4-3-5-7-11/h3-7,10,13H,1,8H2,2H3/t10-,12-/m1/s1
InChIKeyOQHUZMJCAATZIL-ZYHUDNBSSA-N
MW174.24 g/mol
LogP2.12
Rot. Bonds2

About [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol

[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol (PubChem CID 102252022) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol
PubChem CID102252022
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol
SMILESC=C1[C@@H](C)[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H14O/c1-9-10(2)12(9,8-13)11-6-4-3-5-7-11/h3-7,10,13H,1,8H2,2H3/t10-,12-/m1/s1
InChIKeyOQHUZMJCAATZIL-ZYHUDNBSSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol (CID 102252022) is [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol is C=C1[C@@H](C)[C@]1(CO)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol?
The InChIKey is OQHUZMJCAATZIL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H14O/c1-9-10(2)12(9,8-13)11-6-4-3-5-7-11/h3-7,10,13H,1,8H2,2H3/t10-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol?
[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol has a molecular weight of 174.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol is sourced from PubChem (CID 102252022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).