2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane

C15H21ClO2 — CID 65157754

IUPAC2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane
SMILESCOc1ccc(C(Cl)CCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21ClO2/c1-11-10-13(17-2)5-7-14(11)15(16)8-6-12-4-3-9-18-12/h5,7,10,12,15H,3-4,6,8-9H2,1-2H3
InChIKeyTUYYQKUJMAXMPE-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane

2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane (PubChem CID 65157754) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane
PubChem CID65157754
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane
SMILESCOc1ccc(C(Cl)CCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21ClO2/c1-11-10-13(17-2)5-7-14(11)15(16)8-6-12-4-3-9-18-12/h5,7,10,12,15H,3-4,6,8-9H2,1-2H3
InChIKeyTUYYQKUJMAXMPE-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.24
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-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
[1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105256870
2-[3-(2-bromo-4,5-dimethoxyphenyl)-3-chloropropyl]oxolane
CID 65158101
2-[bromo-(4-methoxy-2-methylphenyl)methyl]oxolane
CID 61098086
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane?
The IUPAC name of 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane (CID 65157754) is 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane.
What is the SMILES notation for 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane?
The canonical SMILES for 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane is COc1ccc(C(Cl)CCC2CCCO2)c(C)c1.
What is the InChIKey of 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane?
The InChIKey is TUYYQKUJMAXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-11-10-13(17-2)5-7-14(11)15(16)8-6-12-4-3-9-18-12/h5,7,10,12,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane?
2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane has a molecular weight of 268.78 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane is sourced from PubChem (CID 65157754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).