1-tert-butyl-5-fluoro-2,4-dimethoxybenzene

C12H17FO2 — CID 148903890

IUPAC1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(C(C)(C)C)cc1F
InChIInChI=1S/C12H17FO2/c1-12(2,3)8-6-9(13)11(15-5)7-10(8)14-4/h6-7H,1-5H3
InChIKeyPHHZFPQIFCTJIN-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.14
Rot. Bonds2

About 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene

1-tert-butyl-5-fluoro-2,4-dimethoxybenzene (PubChem CID 148903890) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
PubChem CID148903890
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(C(C)(C)C)cc1F
InChIInChI=1S/C12H17FO2/c1-12(2,3)8-6-9(13)11(15-5)7-10(8)14-4/h6-7H,1-5H3
InChIKeyPHHZFPQIFCTJIN-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-5-fluoro-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-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
CID 118807849
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
1-tert-butyl-4-fluoro-2-methoxy-5-nitrobenzene;carbamic acid
CID 162152668

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene?
The IUPAC name of 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene (CID 148903890) is 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene.
What is the SMILES notation for 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene?
The canonical SMILES for 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene is COc1cc(OC)c(C(C)(C)C)cc1F.
What is the InChIKey of 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene?
The InChIKey is PHHZFPQIFCTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,3)8-6-9(13)11(15-5)7-10(8)14-4/h6-7H,1-5H3.
What are the key properties of 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene?
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene has a molecular weight of 212.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-2,4-dimethoxybenzene is sourced from PubChem (CID 148903890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).