4-chloro-3-(2-phenylmethoxyethyl)oxane

C14H19ClO2 — CID 130537120

IUPAC4-chloro-3-(2-phenylmethoxyethyl)oxane
SMILESClC1CCOCC1CCOCc1ccccc1
InChIInChI=1S/C14H19ClO2/c15-14-7-9-17-11-13(14)6-8-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyYLYZCNUNHYLPIL-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.24
Rot. Bonds5

About 4-chloro-3-(2-phenylmethoxyethyl)oxane

4-chloro-3-(2-phenylmethoxyethyl)oxane (PubChem CID 130537120) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-3-(2-phenylmethoxyethyl)oxane.

Molecular Properties

Compound Name4-chloro-3-(2-phenylmethoxyethyl)oxane
PubChem CID130537120
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name4-chloro-3-(2-phenylmethoxyethyl)oxane
SMILESClC1CCOCC1CCOCc1ccccc1
InChIInChI=1S/C14H19ClO2/c15-14-7-9-17-11-13(14)6-8-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyYLYZCNUNHYLPIL-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
(4R,5S)-3,3-difluoro-4-(2-phenylethyl)-5-(2-phenylmethoxyethyl)oxane
CID 23237683
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
CID 130537389
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-phenylmethoxyethyl)oxane?
The IUPAC name of 4-chloro-3-(2-phenylmethoxyethyl)oxane (CID 130537120) is 4-chloro-3-(2-phenylmethoxyethyl)oxane.
What is the SMILES notation for 4-chloro-3-(2-phenylmethoxyethyl)oxane?
The canonical SMILES for 4-chloro-3-(2-phenylmethoxyethyl)oxane is ClC1CCOCC1CCOCc1ccccc1.
What is the InChIKey of 4-chloro-3-(2-phenylmethoxyethyl)oxane?
The InChIKey is YLYZCNUNHYLPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c15-14-7-9-17-11-13(14)6-8-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2.
What are the key properties of 4-chloro-3-(2-phenylmethoxyethyl)oxane?
4-chloro-3-(2-phenylmethoxyethyl)oxane has a molecular weight of 254.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-phenylmethoxyethyl)oxane is sourced from PubChem (CID 130537120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).