5-Chloro-5-phenylpentan-1-ol

C11H15ClO — CID 129921068

IUPAC5-chloro-5-phenylpentan-1-ol
SMILESC1=CC=C(C=C1)C(CCCCO)Cl
InChIInChI=1S/C11H15ClO/c12-11(8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeySZJLBRODDNCWIR-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.70
Rot. Bonds5

About 5-Chloro-5-phenylpentan-1-ol

5-Chloro-5-phenylpentan-1-ol (PubChem CID 129921068) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 5-chloro-5-phenylpentan-1-ol.

Molecular Properties

Compound Name5-Chloro-5-phenylpentan-1-ol
PubChem CID129921068
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name5-chloro-5-phenylpentan-1-ol
SMILESC1=CC=C(C=C1)C(CCCCO)Cl
InChIInChI=1S/C11H15ClO/c12-11(8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeySZJLBRODDNCWIR-UHFFFAOYSA-N
XLogP2.70
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-Chloro-5-phenylpentan-1-ol?
The IUPAC name of 5-Chloro-5-phenylpentan-1-ol (CID 129921068) is 5-chloro-5-phenylpentan-1-ol.
What is the SMILES notation for 5-Chloro-5-phenylpentan-1-ol?
The canonical SMILES for 5-Chloro-5-phenylpentan-1-ol is C1=CC=C(C=C1)C(CCCCO)Cl.
What is the InChIKey of 5-Chloro-5-phenylpentan-1-ol?
The InChIKey is SZJLBRODDNCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c12-11(8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2.
What are the key properties of 5-Chloro-5-phenylpentan-1-ol?
5-Chloro-5-phenylpentan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Chloro-5-phenylpentan-1-ol is sourced from PubChem (CID 129921068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).