2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol

C12H17FO4 — CID 117362414

IUPAC2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(F)c(C(C)(C)CO)c1OC
InChIInChI=1S/C12H17FO4/c1-12(2,6-14)9-10(13)7(15)5-8(16-3)11(9)17-4/h5,14-15H,6H2,1-4H3
InChIKeyMVRJNBFSWWAAAV-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.82
Rot. Bonds4

About 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol

2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol (PubChem CID 117362414) has the molecular formula C12H17FO4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
PubChem CID117362414
Molecular FormulaC12H17FO4
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(F)c(C(C)(C)CO)c1OC
InChIInChI=1S/C12H17FO4/c1-12(2,6-14)9-10(13)7(15)5-8(16-3)11(9)17-4/h5,14-15H,6H2,1-4H3
InChIKeyMVRJNBFSWWAAAV-UHFFFAOYSA-N
XLogP1.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol 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

5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
CID 117404587
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol?
The IUPAC name of 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol (CID 117362414) is 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol.
What is the SMILES notation for 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol?
The canonical SMILES for 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol is COc1cc(O)c(F)c(C(C)(C)CO)c1OC.
What is the InChIKey of 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol?
The InChIKey is MVRJNBFSWWAAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4/c1-12(2,6-14)9-10(13)7(15)5-8(16-3)11(9)17-4/h5,14-15H,6H2,1-4H3.
What are the key properties of 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol?
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol has a molecular weight of 244.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol is sourced from PubChem (CID 117362414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).