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

C13H17FO — CID 145227609

IUPAC2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C13H17FO/c1-9(2)12-6-5-11(14)7-13(12)15-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVOOSBZUETUEJTK-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.74
Rot. Bonds4

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

2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene (PubChem CID 145227609) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
PubChem CID145227609
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C13H17FO/c1-9(2)12-6-5-11(14)7-13(12)15-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVOOSBZUETUEJTK-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
CID 168725011
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide
CID 176700331
2-chloro-N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]acetamide
CID 176700322
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
CID 117388561

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene (CID 145227609) is 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(F)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene?
The InChIKey is VOOSBZUETUEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9(2)12-6-5-11(14)7-13(12)15-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene?
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene has a molecular weight of 208.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 145227609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).