4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene

C11H15FO2 — CID 177170739

IUPAC4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
SMILESCOCOc1cc(F)ccc1C(C)C
InChIInChI=1S/C11H15FO2/c1-8(2)10-5-4-9(12)6-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyHSKWQENOPPIYRA-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.93
Rot. Bonds4

About 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene

4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene (PubChem CID 177170739) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
PubChem CID177170739
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
SMILESCOCOc1cc(F)ccc1C(C)C
InChIInChI=1S/C11H15FO2/c1-8(2)10-5-4-9(12)6-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyHSKWQENOPPIYRA-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
1,2,5-trifluoro-3-(methoxymethoxy)benzene
CID 67531702
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
CID 175391169

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene?
The IUPAC name of 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene (CID 177170739) is 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene is COCOc1cc(F)ccc1C(C)C.
What is the InChIKey of 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene?
The InChIKey is HSKWQENOPPIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8(2)10-5-4-9(12)6-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene?
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene has a molecular weight of 198.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 177170739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).