1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene

C11H15FO3 — CID 20785388

IUPAC1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
SMILESCOCCOc1cc(C)c(F)cc1OC
InChIInChI=1S/C11H15FO3/c1-8-6-11(15-5-4-13-2)10(14-3)7-9(8)12/h6-7H,4-5H2,1-3H3
InChIKeyMIAMHHNOFMCNKV-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.17
Rot. Bonds5

About 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene

1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene (PubChem CID 20785388) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
PubChem CID20785388
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
SMILESCOCCOc1cc(C)c(F)cc1OC
InChIInChI=1S/C11H15FO3/c1-8-6-11(15-5-4-13-2)10(14-3)7-9(8)12/h6-7H,4-5H2,1-3H3
InChIKeyMIAMHHNOFMCNKV-UHFFFAOYSA-N
XLogP2.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene 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

2-(5-fluoro-2-methoxy-4-methylphenoxy)ethanol
CID 70838034
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 154985854
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
CID 67585577
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
CID 113427003
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene?
The IUPAC name of 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene (CID 20785388) is 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene.
What is the SMILES notation for 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene?
The canonical SMILES for 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene is COCCOc1cc(C)c(F)cc1OC.
What is the InChIKey of 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene?
The InChIKey is MIAMHHNOFMCNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-8-6-11(15-5-4-13-2)10(14-3)7-9(8)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene?
1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene has a molecular weight of 214.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene is sourced from PubChem (CID 20785388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).