4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene

C11H15FO2 — CID 54188300

IUPAC4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene
SMILESCOc1cc(F)ccc1OCC(C)C
InChIInChI=1S/C11H15FO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6,8H,7H2,1-3H3
InChIKeyPGRQUGDYEDCBAT-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.87
Rot. Bonds4

About 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene

4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene (PubChem CID 54188300) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene
PubChem CID54188300
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene
SMILESCOc1cc(F)ccc1OCC(C)C
InChIInChI=1S/C11H15FO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6,8H,7H2,1-3H3
InChIKeyPGRQUGDYEDCBAT-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene?
The IUPAC name of 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene (CID 54188300) is 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene?
The canonical SMILES for 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene is COc1cc(F)ccc1OCC(C)C.
What is the InChIKey of 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene?
The InChIKey is PGRQUGDYEDCBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene?
4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene has a molecular weight of 198.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 54188300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).