(2S)-2-(3-chloropropyl)-2-phenyloxolane

C13H17ClO — CID 94036971

IUPAC(2S)-2-(3-chloropropyl)-2-phenyloxolane
SMILESClCCC[C@]1(c2ccccc2)CCCO1
InChIInChI=1S/C13H17ClO/c14-10-4-8-13(9-5-11-15-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/t13-/m1/s1
InChIKeyPAMNFYLKSCQFCH-CYBMUJFWSA-N
MW224.73 g/mol
LogP3.71
Rot. Bonds4

About (2S)-2-(3-chloropropyl)-2-phenyloxolane

(2S)-2-(3-chloropropyl)-2-phenyloxolane (PubChem CID 94036971) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is (2S)-2-(3-chloropropyl)-2-phenyloxolane.

Molecular Properties

Compound Name(2S)-2-(3-chloropropyl)-2-phenyloxolane
PubChem CID94036971
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name(2S)-2-(3-chloropropyl)-2-phenyloxolane
SMILESClCCC[C@]1(c2ccccc2)CCCO1
InChIInChI=1S/C13H17ClO/c14-10-4-8-13(9-5-11-15-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/t13-/m1/s1
InChIKeyPAMNFYLKSCQFCH-CYBMUJFWSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloropropyl)-2-phenyloxolane?
The IUPAC name of (2S)-2-(3-chloropropyl)-2-phenyloxolane (CID 94036971) is (2S)-2-(3-chloropropyl)-2-phenyloxolane.
What is the SMILES notation for (2S)-2-(3-chloropropyl)-2-phenyloxolane?
The canonical SMILES for (2S)-2-(3-chloropropyl)-2-phenyloxolane is ClCCC[C@]1(c2ccccc2)CCCO1.
What is the InChIKey of (2S)-2-(3-chloropropyl)-2-phenyloxolane?
The InChIKey is PAMNFYLKSCQFCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17ClO/c14-10-4-8-13(9-5-11-15-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of (2S)-2-(3-chloropropyl)-2-phenyloxolane?
(2S)-2-(3-chloropropyl)-2-phenyloxolane has a molecular weight of 224.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloropropyl)-2-phenyloxolane is sourced from PubChem (CID 94036971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).