1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol

C14H20O3 — CID 148947994

IUPAC1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol
SMILESOCC[C@@H](OC1(O)CCCC1)c1ccccc1
InChIInChI=1S/C14H20O3/c15-11-8-13(12-6-2-1-3-7-12)17-14(16)9-4-5-10-14/h1-3,6-7,13,15-16H,4-5,8-11H2/t13-/m1/s1
InChIKeyPPHQVFGXHIDZFJ-CYBMUJFWSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds5

About 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol

1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol (PubChem CID 148947994) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol
PubChem CID148947994
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol
SMILESOCC[C@@H](OC1(O)CCCC1)c1ccccc1
InChIInChI=1S/C14H20O3/c15-11-8-13(12-6-2-1-3-7-12)17-14(16)9-4-5-10-14/h1-3,6-7,13,15-16H,4-5,8-11H2/t13-/m1/s1
InChIKeyPPHQVFGXHIDZFJ-CYBMUJFWSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol (CID 148947994) is 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol is OCC[C@@H](OC1(O)CCCC1)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol?
The InChIKey is PPHQVFGXHIDZFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20O3/c15-11-8-13(12-6-2-1-3-7-12)17-14(16)9-4-5-10-14/h1-3,6-7,13,15-16H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol?
1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol is sourced from PubChem (CID 148947994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).