1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene

C26H18F4O — CID 19030258

IUPAC1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene
SMILESFc1cccc(C(OC(c2ccccc2)c2cccc(F)c2F)c2ccccc2)c1F
InChIInChI=1S/C26H18F4O/c27-21-15-7-13-19(23(21)29)25(17-9-3-1-4-10-17)31-26(18-11-5-2-6-12-18)20-14-8-16-22(28)24(20)30/h1-16,25-26H
InChIKeySBXKKRKLNJFLMW-UHFFFAOYSA-N
MW422.42 g/mol
LogP7.14
Rot. Bonds6

About 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene

1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene (PubChem CID 19030258) has the molecular formula C26H18F4O and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene
PubChem CID19030258
Molecular FormulaC26H18F4O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene
SMILESFc1cccc(C(OC(c2ccccc2)c2cccc(F)c2F)c2ccccc2)c1F
InChIInChI=1S/C26H18F4O/c27-21-15-7-13-19(23(21)29)25(17-9-3-1-4-10-17)31-26(18-11-5-2-6-12-18)20-14-8-16-22(28)24(20)30/h1-16,25-26H
InChIKeySBXKKRKLNJFLMW-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene?
The IUPAC name of 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene (CID 19030258) is 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene is Fc1cccc(C(OC(c2ccccc2)c2cccc(F)c2F)c2ccccc2)c1F.
What is the InChIKey of 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene?
The InChIKey is SBXKKRKLNJFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4O/c27-21-15-7-13-19(23(21)29)25(17-9-3-1-4-10-17)31-26(18-11-5-2-6-12-18)20-14-8-16-22(28)24(20)30/h1-16,25-26H.
What are the key properties of 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene?
1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene has a molecular weight of 422.42 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene is sourced from PubChem (CID 19030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).