2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene

C12H17FO3 — CID 58483798

IUPAC2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene
SMILESCOCCCOc1cc(C)c(F)c(OC)c1
InChIInChI=1S/C12H17FO3/c1-9-7-10(16-6-4-5-14-2)8-11(15-3)12(9)13/h7-8H,4-6H2,1-3H3
InChIKeyXDRHXZWZIHWHLW-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.56
Rot. Bonds6

About 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene

2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene (PubChem CID 58483798) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene
PubChem CID58483798
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene
SMILESCOCCCOc1cc(C)c(F)c(OC)c1
InChIInChI=1S/C12H17FO3/c1-9-7-10(16-6-4-5-14-2)8-11(15-3)12(9)13/h7-8H,4-6H2,1-3H3
InChIKeyXDRHXZWZIHWHLW-UHFFFAOYSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-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-fluoro-1-(2-fluoroethoxy)-5-methoxy-3-methylbenzene
CID 89017823
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 166073527
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
CID 59223964
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103179199

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene?
The IUPAC name of 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene (CID 58483798) is 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene?
The canonical SMILES for 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene is COCCCOc1cc(C)c(F)c(OC)c1.
What is the InChIKey of 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene?
The InChIKey is XDRHXZWZIHWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-9-7-10(16-6-4-5-14-2)8-11(15-3)12(9)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene?
2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene has a molecular weight of 228.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene is sourced from PubChem (CID 58483798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).