1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene

C20H25FO4 — CID 175463366

IUPAC1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(CC(C)(F)Cc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C20H25FO4/c1-20(21,12-14-6-8-16(22-2)10-18(14)24-4)13-15-7-9-17(23-3)11-19(15)25-5/h6-11H,12-13H2,1-5H3
InChIKeyRNUYEHIDDYREAP-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.23
Rot. Bonds8

About 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene

1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene (PubChem CID 175463366) has the molecular formula C20H25FO4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
PubChem CID175463366
Molecular FormulaC20H25FO4
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(CC(C)(F)Cc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C20H25FO4/c1-20(21,12-14-6-8-16(22-2)10-18(14)24-4)13-15-7-9-17(23-3)11-19(15)25-5/h6-11H,12-13H2,1-5H3
InChIKeyRNUYEHIDDYREAP-UHFFFAOYSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 112501230
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene (CID 175463366) is 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene is COc1ccc(CC(C)(F)Cc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene?
The InChIKey is RNUYEHIDDYREAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO4/c1-20(21,12-14-6-8-16(22-2)10-18(14)24-4)13-15-7-9-17(23-3)11-19(15)25-5/h6-11H,12-13H2,1-5H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene?
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene has a molecular weight of 348.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 175463366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).