1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene

C27H24O4 — CID 173325134

IUPAC1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene
SMILESCOc1cc(-c2cccc(-c3ccccc3)c2)c(Oc2ccccc2)c(OC)c1OC
InChIInChI=1S/C27H24O4/c1-28-24-18-23(21-14-10-13-20(17-21)19-11-6-4-7-12-19)25(27(30-3)26(24)29-2)31-22-15-8-5-9-16-22/h4-18H,1-3H3
InChIKeyKQUIESUZLWUCCY-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.84
Rot. Bonds7

About 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene

1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene (PubChem CID 173325134) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene
PubChem CID173325134
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene
SMILESCOc1cc(-c2cccc(-c3ccccc3)c2)c(Oc2ccccc2)c(OC)c1OC
InChIInChI=1S/C27H24O4/c1-28-24-18-23(21-14-10-13-20(17-21)19-11-6-4-7-12-19)25(27(30-3)26(24)29-2)31-22-15-8-5-9-16-22/h4-18H,1-3H3
InChIKeyKQUIESUZLWUCCY-UHFFFAOYSA-N
XLogP6.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene (CID 173325134) is 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene is COc1cc(-c2cccc(-c3ccccc3)c2)c(Oc2ccccc2)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene?
The InChIKey is KQUIESUZLWUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c1-28-24-18-23(21-14-10-13-20(17-21)19-11-6-4-7-12-19)25(27(30-3)26(24)29-2)31-22-15-8-5-9-16-22/h4-18H,1-3H3.
What are the key properties of 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene?
1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene has a molecular weight of 412.49 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene is sourced from PubChem (CID 173325134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).