1,2-bis(4-phenylphenoxy)benzene

C30H22O2 — CID 23083743

IUPAC1,2-bis(4-phenylphenoxy)benzene
SMILESc1ccc(-c2ccc(Oc3ccccc3Oc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H22O2/c1-3-9-23(10-4-1)25-15-19-27(20-16-25)31-29-13-7-8-14-30(29)32-28-21-17-26(18-22-28)24-11-5-2-6-12-24/h1-22H
InChIKeyOBFZMOMSODZLBM-UHFFFAOYSA-N
MW414.50 g/mol
LogP8.61
Rot. Bonds6

About 1,2-bis(4-phenylphenoxy)benzene

1,2-bis(4-phenylphenoxy)benzene (PubChem CID 23083743) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1,2-bis(4-phenylphenoxy)benzene.

Molecular Properties

Compound Name1,2-bis(4-phenylphenoxy)benzene
PubChem CID23083743
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name1,2-bis(4-phenylphenoxy)benzene
SMILESc1ccc(-c2ccc(Oc3ccccc3Oc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H22O2/c1-3-9-23(10-4-1)25-15-19-27(20-16-25)31-29-13-7-8-14-30(29)32-28-21-17-26(18-22-28)24-11-5-2-6-12-24/h1-22H
InChIKeyOBFZMOMSODZLBM-UHFFFAOYSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-phenylphenoxy)benzene?
The IUPAC name of 1,2-bis(4-phenylphenoxy)benzene (CID 23083743) is 1,2-bis(4-phenylphenoxy)benzene.
What is the SMILES notation for 1,2-bis(4-phenylphenoxy)benzene?
The canonical SMILES for 1,2-bis(4-phenylphenoxy)benzene is c1ccc(-c2ccc(Oc3ccccc3Oc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1,2-bis(4-phenylphenoxy)benzene?
The InChIKey is OBFZMOMSODZLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c1-3-9-23(10-4-1)25-15-19-27(20-16-25)31-29-13-7-8-14-30(29)32-28-21-17-26(18-22-28)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 1,2-bis(4-phenylphenoxy)benzene?
1,2-bis(4-phenylphenoxy)benzene has a molecular weight of 414.50 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-phenylphenoxy)benzene is sourced from PubChem (CID 23083743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).