2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane

C15H21ClO2 — CID 65158350

IUPAC2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
SMILESCC(C)Oc1ccc(C(Cl)CC2CCCO2)cc1
InChIInChI=1S/C15H21ClO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyKNLGDHIMONQFDY-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane

2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane (PubChem CID 65158350) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
PubChem CID65158350
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
SMILESCC(C)Oc1ccc(C(Cl)CC2CCCO2)cc1
InChIInChI=1S/C15H21ClO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyKNLGDHIMONQFDY-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65157874
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
CID 83068363
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
CID 61085826
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The IUPAC name of 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane (CID 65158350) is 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The canonical SMILES for 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane is CC(C)Oc1ccc(C(Cl)CC2CCCO2)cc1.
What is the InChIKey of 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The InChIKey is KNLGDHIMONQFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane has a molecular weight of 268.78 g/mol, XLogP of 4.32, 5 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-propan-2-yloxyphenyl)ethyl]oxolane is sourced from PubChem (CID 65158350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).