2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane

C15H21ClO2 — CID 83068363

IUPAC2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
SMILESCOc1c(C)cc(C(Cl)CC2CCCO2)cc1C
InChIInChI=1S/C15H21ClO2/c1-10-7-12(8-11(2)15(10)17-3)14(16)9-13-5-4-6-18-13/h7-8,13-14H,4-6,9H2,1-3H3
InChIKeyMTEUMSXXBDIVOT-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane

2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane (PubChem CID 83068363) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
PubChem CID83068363
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
SMILESCOc1c(C)cc(C(Cl)CC2CCCO2)cc1C
InChIInChI=1S/C15H21ClO2/c1-10-7-12(8-11(2)15(10)17-3)14(16)9-13-5-4-6-18-13/h7-8,13-14H,4-6,9H2,1-3H3
InChIKeyMTEUMSXXBDIVOT-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
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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Related Compounds

2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
2-[2-chloro-2-(2,3,4,5,6-pentamethylphenyl)ethyl]oxolane
CID 65157605
2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
CID 65158245
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane
CID 65157754
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane?
The IUPAC name of 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane (CID 83068363) is 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane?
The canonical SMILES for 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane is COc1c(C)cc(C(Cl)CC2CCCO2)cc1C.
What is the InChIKey of 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane?
The InChIKey is MTEUMSXXBDIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-10-7-12(8-11(2)15(10)17-3)14(16)9-13-5-4-6-18-13/h7-8,13-14H,4-6,9H2,1-3H3.
What are the key properties of 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane?
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane has a molecular weight of 268.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane is sourced from PubChem (CID 83068363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).