3-[(3-chlorophenyl)methyl]oxetane

C10H11ClO — CID 129453186

IUPAC3-[(3-chlorophenyl)methyl]oxetane
SMILESClc1cccc(CC2COC2)c1
InChIInChI=1S/C10H11ClO/c11-10-3-1-2-8(5-10)4-9-6-12-7-9/h1-3,5,9H,4,6-7H2
InChIKeyXHPISFBHCFRJHR-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.53
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]oxetane

3-[(3-chlorophenyl)methyl]oxetane (PubChem CID 129453186) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]oxetane.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]oxetane
PubChem CID129453186
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name3-[(3-chlorophenyl)methyl]oxetane
SMILESClc1cccc(CC2COC2)c1
InChIInChI=1S/C10H11ClO/c11-10-3-1-2-8(5-10)4-9-6-12-7-9/h1-3,5,9H,4,6-7H2
InChIKeyXHPISFBHCFRJHR-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
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3-[(3-chlorophenyl)methyl]-1-methylazetidine
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2-butyl-4-[(3-chlorophenyl)methyl]oxolane
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3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
2-[2-(3-chlorophenyl)ethyl]oxirane
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(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
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(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
(3R,4S)-3-[(3-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169042
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]oxetane?
The IUPAC name of 3-[(3-chlorophenyl)methyl]oxetane (CID 129453186) is 3-[(3-chlorophenyl)methyl]oxetane.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]oxetane?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]oxetane is Clc1cccc(CC2COC2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]oxetane?
The InChIKey is XHPISFBHCFRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-10-3-1-2-8(5-10)4-9-6-12-7-9/h1-3,5,9H,4,6-7H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]oxetane?
3-[(3-chlorophenyl)methyl]oxetane has a molecular weight of 182.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]oxetane is sourced from PubChem (CID 129453186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).