phenylmethoxymethylbenzene

C14H14O — CID 7657

IUPACphenylmethoxymethylbenzene
SMILESc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyMHDVGSVTJDSBDK-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.40
Rot. Bonds4

About phenylmethoxymethylbenzene

phenylmethoxymethylbenzene (PubChem CID 7657) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is phenylmethoxymethylbenzene.

Molecular Properties

Compound Namephenylmethoxymethylbenzene
PubChem CID7657
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Namephenylmethoxymethylbenzene
SMILESc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyMHDVGSVTJDSBDK-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethylbenzene?
The IUPAC name of phenylmethoxymethylbenzene (CID 7657) is phenylmethoxymethylbenzene.
What is the SMILES notation for phenylmethoxymethylbenzene?
The canonical SMILES for phenylmethoxymethylbenzene is c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of phenylmethoxymethylbenzene?
The InChIKey is MHDVGSVTJDSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of phenylmethoxymethylbenzene?
phenylmethoxymethylbenzene has a molecular weight of 198.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethylbenzene is sourced from PubChem (CID 7657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).