3-(chloromethyl)-2-(2-hydroxyphenyl)phenol

C13H11ClO2 — CID 139509333

IUPAC3-(chloromethyl)-2-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1c(O)cccc1CCl
InChIInChI=1S/C13H11ClO2/c14-8-9-4-3-7-12(16)13(9)10-5-1-2-6-11(10)15/h1-7,15-16H,8H2
InChIKeyLHVFARZBVOYVJW-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.50
Rot. Bonds2

About 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol

3-(chloromethyl)-2-(2-hydroxyphenyl)phenol (PubChem CID 139509333) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-hydroxyphenyl)phenol
PubChem CID139509333
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name3-(chloromethyl)-2-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1c(O)cccc1CCl
InChIInChI=1S/C13H11ClO2/c14-8-9-4-3-7-12(16)13(9)10-5-1-2-6-11(10)15/h1-7,15-16H,8H2
InChIKeyLHVFARZBVOYVJW-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol?
The IUPAC name of 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol (CID 139509333) is 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol?
The canonical SMILES for 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol is Oc1ccccc1-c1c(O)cccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol?
The InChIKey is LHVFARZBVOYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-8-9-4-3-7-12(16)13(9)10-5-1-2-6-11(10)15/h1-7,15-16H,8H2.
What are the key properties of 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol?
3-(chloromethyl)-2-(2-hydroxyphenyl)phenol has a molecular weight of 234.68 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 139509333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).