4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

C20H25FO4 — CID 118710431

IUPAC4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
SMILESCOc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@H](C)CF)ccc1O
InChIInChI=1S/C20H25FO4/c1-12(11-21)13(2)20(14-5-7-16(22)18(9-14)24-3)15-6-8-17(23)19(10-15)25-4/h5-10,12-13,20,22-23H,11H2,1-4H3/t12-,13+/m1/s1
InChIKeyQCVRIQWIRBKLSC-OLZOCXBDSA-N
MW348.41 g/mol
LogP4.49
Rot. Bonds7

About 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol (PubChem CID 118710431) has the molecular formula C20H25FO4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
PubChem CID118710431
Molecular FormulaC20H25FO4
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
SMILESCOc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@H](C)CF)ccc1O
InChIInChI=1S/C20H25FO4/c1-12(11-21)13(2)20(14-5-7-16(22)18(9-14)24-3)15-6-8-17(23)19(10-15)25-4/h5-10,12-13,20,22-23H,11H2,1-4H3/t12-,13+/m1/s1
InChIKeyQCVRIQWIRBKLSC-OLZOCXBDSA-N
XLogP4.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol 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

4-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol
CID 54751785
4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
CID 118710429
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
4-hexan-2-yl-2-methoxyphenol
CID 10285881

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The IUPAC name of 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol (CID 118710431) is 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol is COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@H](C)CF)ccc1O.
What is the InChIKey of 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The InChIKey is QCVRIQWIRBKLSC-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H25FO4/c1-12(11-21)13(2)20(14-5-7-16(22)18(9-14)24-3)15-6-8-17(23)19(10-15)25-4/h5-10,12-13,20,22-23H,11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol has a molecular weight of 348.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol is sourced from PubChem (CID 118710431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).