3-phenoxyphenol

C12H10O2 — CID 12842

IUPAC3-phenoxyphenol
SMILESOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
InChIKeyHBUCPZGYBSEEHF-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.18
Rot. Bonds2

About 3-phenoxyphenol

3-phenoxyphenol (PubChem CID 12842) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-phenoxyphenol.

Molecular Properties

Compound Name3-phenoxyphenol
PubChem CID12842
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3-phenoxyphenol
SMILESOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
InChIKeyHBUCPZGYBSEEHF-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyphenol?
The IUPAC name of 3-phenoxyphenol (CID 12842) is 3-phenoxyphenol.
What is the SMILES notation for 3-phenoxyphenol?
The canonical SMILES for 3-phenoxyphenol is Oc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxyphenol?
The InChIKey is HBUCPZGYBSEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H.
What are the key properties of 3-phenoxyphenol?
3-phenoxyphenol has a molecular weight of 186.21 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyphenol is sourced from PubChem (CID 12842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).