4-[(3-chlorophenyl)methoxy]phenol

C13H11ClO2 — CID 15059606

IUPAC4-[(3-chlorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO2/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2
InChIKeyIAOYKLCKOHMZNN-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.62
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]phenol

4-[(3-chlorophenyl)methoxy]phenol (PubChem CID 15059606) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]phenol
PubChem CID15059606
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name4-[(3-chlorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO2/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2
InChIKeyIAOYKLCKOHMZNN-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]phenol?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]phenol (CID 15059606) is 4-[(3-chlorophenyl)methoxy]phenol.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]phenol?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]phenol is Oc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]phenol?
The InChIKey is IAOYKLCKOHMZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]phenol?
4-[(3-chlorophenyl)methoxy]phenol has a molecular weight of 234.68 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]phenol is sourced from PubChem (CID 15059606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).