2-[chloro(phenyl)methyl]oxolane

C11H13ClO — CID 11084790

IUPAC2-[chloro(phenyl)methyl]oxolane
SMILESClC(c1ccccc1)C1CCCO1
InChIInChI=1S/C11H13ClO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
InChIKeyMWUWGVZYSUWYFS-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.15
Rot. Bonds2

About 2-[chloro(phenyl)methyl]oxolane

2-[chloro(phenyl)methyl]oxolane (PubChem CID 11084790) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]oxolane
PubChem CID11084790
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-[chloro(phenyl)methyl]oxolane
SMILESClC(c1ccccc1)C1CCCO1
InChIInChI=1S/C11H13ClO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
InChIKeyMWUWGVZYSUWYFS-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.15
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-[(4-bromophenyl)-chloromethyl]oxolane
CID 61081536
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
CID 61086456
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
CID 124705823
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
CID 116525931
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
(2S)-2-(oxan-2-yl)-2-phenylethanol
CID 101229942
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
2-[chloro-(4-phenylphenyl)methyl]-1,4-dioxane
CID 62804372

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methyl]oxolane?
The IUPAC name of 2-[chloro(phenyl)methyl]oxolane (CID 11084790) is 2-[chloro(phenyl)methyl]oxolane.
What is the SMILES notation for 2-[chloro(phenyl)methyl]oxolane?
The canonical SMILES for 2-[chloro(phenyl)methyl]oxolane is ClC(c1ccccc1)C1CCCO1.
What is the InChIKey of 2-[chloro(phenyl)methyl]oxolane?
The InChIKey is MWUWGVZYSUWYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2.
What are the key properties of 2-[chloro(phenyl)methyl]oxolane?
2-[chloro(phenyl)methyl]oxolane has a molecular weight of 196.68 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]oxolane is sourced from PubChem (CID 11084790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).