3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane

C16H17ClO2 — CID 79373694

IUPAC3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane
SMILESCOc1ccc2cc(C3OCCC3CCl)ccc2c1
InChIInChI=1S/C16H17ClO2/c1-18-15-5-4-11-8-13(3-2-12(11)9-15)16-14(10-17)6-7-19-16/h2-5,8-9,14,16H,6-7,10H2,1H3
InChIKeyZBTOLQQTRFVDHU-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.16
Rot. Bonds3

About 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane

3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane (PubChem CID 79373694) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane
PubChem CID79373694
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane
SMILESCOc1ccc2cc(C3OCCC3CCl)ccc2c1
InChIInChI=1S/C16H17ClO2/c1-18-15-5-4-11-8-13(3-2-12(11)9-15)16-14(10-17)6-7-19-16/h2-5,8-9,14,16H,6-7,10H2,1H3
InChIKeyZBTOLQQTRFVDHU-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(6-methoxynaphthalen-2-yl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane (CID 79373694) is 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane is COc1ccc2cc(C3OCCC3CCl)ccc2c1.
What is the InChIKey of 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane?
The InChIKey is ZBTOLQQTRFVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-18-15-5-4-11-8-13(3-2-12(11)9-15)16-14(10-17)6-7-19-16/h2-5,8-9,14,16H,6-7,10H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane?
3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane has a molecular weight of 276.76 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane is sourced from PubChem (CID 79373694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).