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

C11H15FO3 — CID 165354855

IUPAC4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
SMILESCOCOc1cc(F)ccc1OC(C)C
InChIInChI=1S/C11H15FO3/c1-8(2)15-10-5-4-9(12)6-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyXTNNJAYRFXZZSN-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.60
Rot. Bonds5

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

4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene (PubChem CID 165354855) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
PubChem CID165354855
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
SMILESCOCOc1cc(F)ccc1OC(C)C
InChIInChI=1S/C11H15FO3/c1-8(2)15-10-5-4-9(12)6-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyXTNNJAYRFXZZSN-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
CID 175391169
2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
CID 67282069
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
1,2,5-trifluoro-3-(methoxymethoxy)benzene
CID 67531702
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine
CID 65364246
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794928

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene?
The IUPAC name of 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene (CID 165354855) is 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene?
The canonical SMILES for 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene is COCOc1cc(F)ccc1OC(C)C.
What is the InChIKey of 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene?
The InChIKey is XTNNJAYRFXZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-8(2)15-10-5-4-9(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-yloxybenzene?
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene has a molecular weight of 214.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene is sourced from PubChem (CID 165354855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).