[2-(4-chlorophenyl)oxiran-2-yl]methanol

C9H9ClO2 — CID 14329854

IUPAC[2-(4-chlorophenyl)oxiran-2-yl]methanol
SMILESOCC1(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9(5-11)6-12-9/h1-4,11H,5-6H2
InChIKeyYWKNOXACSQMHTQ-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.56
Rot. Bonds2

About [2-(4-chlorophenyl)oxiran-2-yl]methanol

[2-(4-chlorophenyl)oxiran-2-yl]methanol (PubChem CID 14329854) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is [2-(4-chlorophenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)oxiran-2-yl]methanol
PubChem CID14329854
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name[2-(4-chlorophenyl)oxiran-2-yl]methanol
SMILESOCC1(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9(5-11)6-12-9/h1-4,11H,5-6H2
InChIKeyYWKNOXACSQMHTQ-UHFFFAOYSA-N
XLogP1.56
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)oxiran-2-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)oxiran-2-yl]methanol (CID 14329854) is [2-(4-chlorophenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)oxiran-2-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)oxiran-2-yl]methanol is OCC1(c2ccc(Cl)cc2)CO1.
What is the InChIKey of [2-(4-chlorophenyl)oxiran-2-yl]methanol?
The InChIKey is YWKNOXACSQMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9(5-11)6-12-9/h1-4,11H,5-6H2.
What are the key properties of [2-(4-chlorophenyl)oxiran-2-yl]methanol?
[2-(4-chlorophenyl)oxiran-2-yl]methanol has a molecular weight of 184.62 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 14329854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).