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

C14H20O — CID 102330777

IUPAC[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
SMILESCCCCC1[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-9-12-13(10-15)14(12)11-7-5-4-6-8-11/h4-8,12-15H,2-3,9-10H2,1H3/t12?,13-,14-/m1/s1
InChIKeyZNJKIOWCPLIAND-ILMHWDKJSA-N
MW204.31 g/mol
LogP3.20
Rot. Bonds5

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

[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol (PubChem CID 102330777) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
PubChem CID102330777
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
SMILESCCCCC1[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-9-12-13(10-15)14(12)11-7-5-4-6-8-11/h4-8,12-15H,2-3,9-10H2,1H3/t12?,13-,14-/m1/s1
InChIKeyZNJKIOWCPLIAND-ILMHWDKJSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol (CID 102330777) is [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol is CCCCC1[C@@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol?
The InChIKey is ZNJKIOWCPLIAND-ILMHWDKJSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-9-12-13(10-15)14(12)11-7-5-4-6-8-11/h4-8,12-15H,2-3,9-10H2,1H3/t12?,13-,14-/m1/s1.
What are the key properties of [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol?
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol has a molecular weight of 204.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol is sourced from PubChem (CID 102330777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).