1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene

C20H16F2O2 — CID 118497324

IUPAC1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
SMILESCOc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H16F2O2/c1-23-19-11-17(13-3-7-15(21)8-4-13)18(12-20(19)24-2)14-5-9-16(22)10-6-14/h3-12H,1-2H3
InChIKeyJMHBGSIZSZTCBM-UHFFFAOYSA-N
MW326.34 g/mol
LogP5.32
Rot. Bonds4

About 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene

1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene (PubChem CID 118497324) has the molecular formula C20H16F2O2 and a molecular weight of 326.34 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
PubChem CID118497324
Molecular FormulaC20H16F2O2
Molecular Weight326.34 g/mol
Exact Mass326.11
IUPAC Name1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
SMILESCOc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H16F2O2/c1-23-19-11-17(13-3-7-15(21)8-4-13)18(12-20(19)24-2)14-5-9-16(22)10-6-14/h3-12H,1-2H3
InChIKeyJMHBGSIZSZTCBM-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
CID 91038963
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
2-(4-fluorophenyl)-1-methoxy-4-prop-1-enylbenzene
CID 141071420
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene?
The IUPAC name of 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene (CID 118497324) is 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene?
The canonical SMILES for 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene is COc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1OC.
What is the InChIKey of 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene?
The InChIKey is JMHBGSIZSZTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2/c1-23-19-11-17(13-3-7-15(21)8-4-13)18(12-20(19)24-2)14-5-9-16(22)10-6-14/h3-12H,1-2H3.
What are the key properties of 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene?
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene has a molecular weight of 326.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene is sourced from PubChem (CID 118497324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).