1,3-bis(phenylmethoxy)benzene

C20H18O2 — CID 1363616

IUPAC1,3-bis(phenylmethoxy)benzene
SMILESc1ccc(COc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyRESHZVQZWMQUMB-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.84
Rot. Bonds6

About 1,3-bis(phenylmethoxy)benzene

1,3-bis(phenylmethoxy)benzene (PubChem CID 1363616) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)benzene
PubChem CID1363616
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1,3-bis(phenylmethoxy)benzene
SMILESc1ccc(COc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyRESHZVQZWMQUMB-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 1,3-bis(phenylmethoxy)benzene?
The IUPAC name of 1,3-bis(phenylmethoxy)benzene (CID 1363616) is 1,3-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1,3-bis(phenylmethoxy)benzene?
The canonical SMILES for 1,3-bis(phenylmethoxy)benzene is c1ccc(COc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)benzene?
The InChIKey is RESHZVQZWMQUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2.
What are the key properties of 1,3-bis(phenylmethoxy)benzene?
1,3-bis(phenylmethoxy)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 1,3-bis(phenylmethoxy)benzene is sourced from PubChem (CID 1363616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).