1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene

C17H19FO2 — CID 130325597

IUPAC1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H19FO2/c1-12(2)14-6-9-16(17(10-14)19-3)20-11-13-4-7-15(18)8-5-13/h4-10,12H,11H2,1-3H3
InChIKeyGHMQJPXMPKKZSV-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.54
Rot. Bonds5

About 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene

1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene (PubChem CID 130325597) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
PubChem CID130325597
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H19FO2/c1-12(2)14-6-9-16(17(10-14)19-3)20-11-13-4-7-15(18)8-5-13/h4-10,12H,11H2,1-3H3
InChIKeyGHMQJPXMPKKZSV-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 28973814
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
CID 113233041
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene (CID 130325597) is 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene is COc1cc(C(C)C)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is GHMQJPXMPKKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-12(2)14-6-9-16(17(10-14)19-3)20-11-13-4-7-15(18)8-5-13/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene?
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 274.34 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 130325597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).