4-(3-chlorophenoxy)phenol

C12H9ClO2 — CID 19775873

IUPAC4-(3-chlorophenoxy)phenol
SMILESOc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H9ClO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8,14H
InChIKeyHINVSEIUDPOQIP-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.84
Rot. Bonds2

About 4-(3-chlorophenoxy)phenol

4-(3-chlorophenoxy)phenol (PubChem CID 19775873) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)phenol.

Molecular Properties

Compound Name4-(3-chlorophenoxy)phenol
PubChem CID19775873
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name4-(3-chlorophenoxy)phenol
SMILESOc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H9ClO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8,14H
InChIKeyHINVSEIUDPOQIP-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)phenol?
The IUPAC name of 4-(3-chlorophenoxy)phenol (CID 19775873) is 4-(3-chlorophenoxy)phenol.
What is the SMILES notation for 4-(3-chlorophenoxy)phenol?
The canonical SMILES for 4-(3-chlorophenoxy)phenol is Oc1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenoxy)phenol?
The InChIKey is HINVSEIUDPOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8,14H.
What are the key properties of 4-(3-chlorophenoxy)phenol?
4-(3-chlorophenoxy)phenol has a molecular weight of 220.66 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)phenol is sourced from PubChem (CID 19775873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).