5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran

C18H18F2O2 — CID 141271185

IUPAC5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran
SMILESCc1ccc(F)c(OCc2cc(F)cc3c2OC(C)(C)C3)c1
InChIInChI=1S/C18H18F2O2/c1-11-4-5-15(20)16(6-11)21-10-13-8-14(19)7-12-9-18(2,3)22-17(12)13/h4-8H,9-10H2,1-3H3
InChIKeyUDRMSSACRLEKNZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.57
Rot. Bonds3

About 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran

5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran (PubChem CID 141271185) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran
PubChem CID141271185
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran
SMILESCc1ccc(F)c(OCc2cc(F)cc3c2OC(C)(C)C3)c1
InChIInChI=1S/C18H18F2O2/c1-11-4-5-15(20)16(6-11)21-10-13-8-14(19)7-12-9-18(2,3)22-17(12)13/h4-8H,9-10H2,1-3H3
InChIKeyUDRMSSACRLEKNZ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran 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

7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran
CID 141271164
[4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3,5-trimethylphenyl] propanoate
CID 90465692
3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
CID 58566792
2-[2-ethyl-3-fluoro-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]phenyl]propanoic acid
CID 159174082
3-[2-ethoxy-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]phenyl]propanoic acid
CID 58566486
3-[3-fluoro-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2-(3-methylbutyl)phenyl]propanoic acid
CID 58566369
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409
4-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-3-fluorophenyl]-2,3-dimethylbutanoic acid
CID 91308247
3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2-ethyl-3-fluorophenyl]-2-methylpropanoic acid
CID 58566341
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
CID 79698697
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran (CID 141271185) is 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran is Cc1ccc(F)c(OCc2cc(F)cc3c2OC(C)(C)C3)c1.
What is the InChIKey of 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is UDRMSSACRLEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-11-4-5-15(20)16(6-11)21-10-13-8-14(19)7-12-9-18(2,3)22-17(12)13/h4-8H,9-10H2,1-3H3.
What are the key properties of 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran?
5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 304.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 141271185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).