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

C12H17FO2 — CID 167302497

IUPAC4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
SMILESCOCCOc1cc(F)ccc1C(C)C
InChIInChI=1S/C12H17FO2/c1-9(2)11-5-4-10(13)8-12(11)15-7-6-14-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKKJFOFVZJOQQNL-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.97
Rot. Bonds5

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

4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene (PubChem CID 167302497) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
PubChem CID167302497
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
SMILESCOCCOc1cc(F)ccc1C(C)C
InChIInChI=1S/C12H17FO2/c1-9(2)11-5-4-10(13)8-12(11)15-7-6-14-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKKJFOFVZJOQQNL-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
CID 176701242

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene?
The IUPAC name of 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene (CID 167302497) is 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene is COCCOc1cc(F)ccc1C(C)C.
What is the InChIKey of 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene?
The InChIKey is KKJFOFVZJOQQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-9(2)11-5-4-10(13)8-12(11)15-7-6-14-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene?
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene has a molecular weight of 212.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 167302497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).