2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane

C15H21ClO — CID 103142699

IUPAC2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
SMILESCc1ccc(C(CCl)CC2CCC(C)O2)cc1
InChIInChI=1S/C15H21ClO/c1-11-3-6-13(7-4-11)14(10-16)9-15-8-5-12(2)17-15/h3-4,6-7,12,14-15H,5,8-10H2,1-2H3
InChIKeyCDKUKOVTEIATIJ-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.28
Rot. Bonds4

About 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane

2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane (PubChem CID 103142699) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
PubChem CID103142699
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
SMILESCc1ccc(C(CCl)CC2CCC(C)O2)cc1
InChIInChI=1S/C15H21ClO/c1-11-3-6-13(7-4-11)14(10-16)9-15-8-5-12(2)17-15/h3-4,6-7,12,14-15H,5,8-10H2,1-2H3
InChIKeyCDKUKOVTEIATIJ-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-2-(4-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902263
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 103138828
2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79435863
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
CID 103142724
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
CID 103142686
N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide
CID 146213555
1-(1-chloro-5,5-dimethylhexan-2-yl)-4-methylbenzene
CID 79435760

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane?
The IUPAC name of 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane (CID 103142699) is 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane.
What is the SMILES notation for 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane?
The canonical SMILES for 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane is Cc1ccc(C(CCl)CC2CCC(C)O2)cc1.
What is the InChIKey of 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane?
The InChIKey is CDKUKOVTEIATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11-3-6-13(7-4-11)14(10-16)9-15-8-5-12(2)17-15/h3-4,6-7,12,14-15H,5,8-10H2,1-2H3.
What are the key properties of 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane?
2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane has a molecular weight of 252.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane is sourced from PubChem (CID 103142699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).