4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane

C17H16ClFO2 — CID 21326664

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane
SMILESFc1cccc(Cl)c1COC1COC(c2ccccc2)C1
InChIInChI=1S/C17H16ClFO2/c18-15-7-4-8-16(19)14(15)11-20-13-9-17(21-10-13)12-5-2-1-3-6-12/h1-8,13,17H,9-11H2
InChIKeyXSHBMCPABNYXKL-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.53
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane

4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane (PubChem CID 21326664) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane
PubChem CID21326664
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane
SMILESFc1cccc(Cl)c1COC1COC(c2ccccc2)C1
InChIInChI=1S/C17H16ClFO2/c18-15-7-4-8-16(19)14(15)11-20-13-9-17(21-10-13)12-5-2-1-3-6-12/h1-8,13,17H,9-11H2
InChIKeyXSHBMCPABNYXKL-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 44424015
2-Chloro-6-fluorobenzyl alcohol, isopropyl ether
CID 91718298
2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91718299
2-(((2-Chlorophenyl)methoxy)methyl)oxirane
CID 4387168
2-(4-Chlorophenyl)-4,4-dimethyl-2-phenyl-3,6-dioxabicyclo[3.1.0]hexane
CID 12283023
(2S,3R,4R,5R)-2-[4-chloro-3-[(4-fluorophenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 73348016
2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether
CID 91718289
[3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693340
2-{[Bis(4-chlorophenyl)methoxy]methyl}oxirane
CID 43810597
2,3-Bis(4-chlorophenyl)-1,4-dioxane
CID 346554
(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol
CID 139043204
(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane
CID 139125286

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane (CID 21326664) is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane is Fc1cccc(Cl)c1COC1COC(c2ccccc2)C1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane?
The InChIKey is XSHBMCPABNYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c18-15-7-4-8-16(19)14(15)11-20-13-9-17(21-10-13)12-5-2-1-3-6-12/h1-8,13,17H,9-11H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane?
4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane has a molecular weight of 306.76 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyloxolane is sourced from PubChem (CID 21326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).