(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane

C17H17ClO2 — CID 141288000

IUPAC(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
SMILESClc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1
InChIKeyJYZBRIZBJDEAIX-INIZCTEOSA-N
MW288.77 g/mol
LogP4.10
Rot. Bonds4

About (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane

(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane (PubChem CID 141288000) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane.

Molecular Properties

Compound Name(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
PubChem CID141288000
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
SMILESClc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1
InChIKeyJYZBRIZBJDEAIX-INIZCTEOSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane?
The IUPAC name of (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane (CID 141288000) is (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane.
What is the SMILES notation for (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane?
The canonical SMILES for (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane is Clc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1.
What is the InChIKey of (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane?
The InChIKey is JYZBRIZBJDEAIX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1.
What are the key properties of (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane?
(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane has a molecular weight of 288.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane is sourced from PubChem (CID 141288000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).