(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C11H10Cl2O3 — CID 116922633

IUPAC(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1(CO)COC1
InChIInChI=1S/C11H10Cl2O3/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,14H,4-6H2
InChIKeyWVXMVTUCMJCTKW-UHFFFAOYSA-N
MW261.10 g/mol
LogP2.18
Rot. Bonds3

About (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116922633) has the molecular formula C11H10Cl2O3 and a molecular weight of 261.10 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116922633
Molecular FormulaC11H10Cl2O3
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1(CO)COC1
InChIInChI=1S/C11H10Cl2O3/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,14H,4-6H2
InChIKeyWVXMVTUCMJCTKW-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116922633) is (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is O=C(c1ccc(Cl)cc1Cl)C1(CO)COC1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is WVXMVTUCMJCTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O3/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,14H,4-6H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 261.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116922633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).