phenoxymethylbenzene;2-phenylphenol

C25H22O2 — CID 159234068

IUPACphenoxymethylbenzene;2-phenylphenol
SMILESOc1ccccc1-c1ccccc1.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C12H10O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-10H,11H2;1-9,13H
InChIKeyKTGFZSUZFQQTII-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.32
Rot. Bonds4

About phenoxymethylbenzene;2-phenylphenol

phenoxymethylbenzene;2-phenylphenol (PubChem CID 159234068) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is phenoxymethylbenzene;2-phenylphenol.

Molecular Properties

Compound Namephenoxymethylbenzene;2-phenylphenol
PubChem CID159234068
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Namephenoxymethylbenzene;2-phenylphenol
SMILESOc1ccccc1-c1ccccc1.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C12H10O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-10H,11H2;1-9,13H
InChIKeyKTGFZSUZFQQTII-UHFFFAOYSA-N
XLogP6.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
CID 141092244
[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine
CID 43825120
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
CID 10776663

Frequently Asked Questions

What is the IUPAC name of phenoxymethylbenzene;2-phenylphenol?
The IUPAC name of phenoxymethylbenzene;2-phenylphenol (CID 159234068) is phenoxymethylbenzene;2-phenylphenol.
What is the SMILES notation for phenoxymethylbenzene;2-phenylphenol?
The canonical SMILES for phenoxymethylbenzene;2-phenylphenol is Oc1ccccc1-c1ccccc1.c1ccc(COc2ccccc2)cc1.
What is the InChIKey of phenoxymethylbenzene;2-phenylphenol?
The InChIKey is KTGFZSUZFQQTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C12H10O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-10H,11H2;1-9,13H.
What are the key properties of phenoxymethylbenzene;2-phenylphenol?
phenoxymethylbenzene;2-phenylphenol has a molecular weight of 354.45 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethylbenzene;2-phenylphenol is sourced from PubChem (CID 159234068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).