3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane

C14H17ClO — CID 79976732

IUPAC3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane
SMILESClCC1CCOC1c1cccc(C2CC2)c1
InChIInChI=1S/C14H17ClO/c15-9-13-6-7-16-14(13)12-3-1-2-11(8-12)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyOYMJBOOIBJYHCZ-UHFFFAOYSA-N
MW236.74 g/mol
LogP3.88
Rot. Bonds3

About 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane

3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane (PubChem CID 79976732) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane
PubChem CID79976732
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane
SMILESClCC1CCOC1c1cccc(C2CC2)c1
InChIInChI=1S/C14H17ClO/c15-9-13-6-7-16-14(13)12-3-1-2-11(8-12)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyOYMJBOOIBJYHCZ-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 53.88
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 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane (CID 79976732) is 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane is ClCC1CCOC1c1cccc(C2CC2)c1.
What is the InChIKey of 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane?
The InChIKey is OYMJBOOIBJYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-9-13-6-7-16-14(13)12-3-1-2-11(8-12)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2.
What are the key properties of 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane?
3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane has a molecular weight of 236.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane is sourced from PubChem (CID 79976732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).