1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene

C22H22O4 — CID 54421334

IUPAC1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C22H22O4/c1-23-20-14-11-17(21(24-2)22(20)25-3)15-16-9-12-19(13-10-16)26-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3
InChIKeyGXDMDHRDFOFHRZ-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.10
Rot. Bonds7

About 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene

1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene (PubChem CID 54421334) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene
PubChem CID54421334
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C22H22O4/c1-23-20-14-11-17(21(24-2)22(20)25-3)15-16-9-12-19(13-10-16)26-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3
InChIKeyGXDMDHRDFOFHRZ-UHFFFAOYSA-N
XLogP5.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.10
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-[(4-phenoxyphenyl)methyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene (CID 54421334) is 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene is COc1ccc(Cc2ccc(Oc3ccccc3)cc2)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene?
The InChIKey is GXDMDHRDFOFHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-23-20-14-11-17(21(24-2)22(20)25-3)15-16-9-12-19(13-10-16)26-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3.
What are the key properties of 1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene?
1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene has a molecular weight of 350.41 g/mol, XLogP of 5.10, 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-[(4-phenoxyphenyl)methyl]benzene is sourced from PubChem (CID 54421334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).