4-phenoxyphenol

C12H10O2 — CID 13254

IUPAC4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKeyZSBDGXGICLIJGD-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.18
Rot. Bonds2

About 4-phenoxyphenol

4-phenoxyphenol (PubChem CID 13254) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-phenoxyphenol.

Molecular Properties

Compound Name4-phenoxyphenol
PubChem CID13254
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKeyZSBDGXGICLIJGD-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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Related Compounds

4-Methoxyphenol
CID 9015
Monobenzone
CID 7638
Diphenyl Ether
CID 7583
1,4-Dimethoxybenzene
CID 9016
4-Ethoxyphenol
CID 12150
4,4'-Dihydroxydiphenyl ether
CID 16069
3-Phenoxyphenol
CID 12842
4-Hydroxyphenyl acetate
CID 96009
1,2-Diphenoxyethane
CID 7713
4-Hexyloxyphenol
CID 29354
p-Methoxyphenetole
CID 78760
1,4-Diethoxybenzene
CID 67150

Frequently Asked Questions

What is the IUPAC name of 4-phenoxyphenol?
The IUPAC name of 4-phenoxyphenol (CID 13254) is 4-phenoxyphenol.
What is the SMILES notation for 4-phenoxyphenol?
The canonical SMILES for 4-phenoxyphenol is Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxyphenol?
The InChIKey is ZSBDGXGICLIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 4-phenoxyphenol?
4-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 4-phenoxyphenol is sourced from PubChem (CID 13254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).