1,2-bis(phenoxymethyl)benzene

C20H18O2 — CID 11162091

IUPAC1,2-bis(phenoxymethyl)benzene
SMILESc1ccc(OCc2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2
InChIKeyJTWBMEAENZGSOQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.84
Rot. Bonds6

About 1,2-bis(phenoxymethyl)benzene

1,2-bis(phenoxymethyl)benzene (PubChem CID 11162091) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,2-bis(phenoxymethyl)benzene.

Molecular Properties

Compound Name1,2-bis(phenoxymethyl)benzene
PubChem CID11162091
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1,2-bis(phenoxymethyl)benzene
SMILESc1ccc(OCc2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2
InChIKeyJTWBMEAENZGSOQ-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(phenoxymethyl)benzene?
The IUPAC name of 1,2-bis(phenoxymethyl)benzene (CID 11162091) is 1,2-bis(phenoxymethyl)benzene.
What is the SMILES notation for 1,2-bis(phenoxymethyl)benzene?
The canonical SMILES for 1,2-bis(phenoxymethyl)benzene is c1ccc(OCc2ccccc2COc2ccccc2)cc1.
What is the InChIKey of 1,2-bis(phenoxymethyl)benzene?
The InChIKey is JTWBMEAENZGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2.
What are the key properties of 1,2-bis(phenoxymethyl)benzene?
1,2-bis(phenoxymethyl)benzene has a molecular weight of 290.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(phenoxymethyl)benzene is sourced from PubChem (CID 11162091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).