4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene

C14H19FO2 — CID 90221775

IUPAC4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
SMILESCO[C@H]1CCC[C@@H](Oc2cc(F)ccc2C)C1
InChIInChI=1S/C14H19FO2/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13H,3-5,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNAPAVQZBGWFQJU-QWHCGFSZSA-N
MW238.30 g/mol
LogP3.47
Rot. Bonds3

About 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene

4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene (PubChem CID 90221775) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene.

Molecular Properties

Compound Name4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
PubChem CID90221775
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
SMILESCO[C@H]1CCC[C@@H](Oc2cc(F)ccc2C)C1
InChIInChI=1S/C14H19FO2/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13H,3-5,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNAPAVQZBGWFQJU-QWHCGFSZSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene?
The IUPAC name of 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene (CID 90221775) is 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene.
What is the SMILES notation for 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene?
The canonical SMILES for 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene is CO[C@H]1CCC[C@@H](Oc2cc(F)ccc2C)C1.
What is the InChIKey of 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene?
The InChIKey is NAPAVQZBGWFQJU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13H,3-5,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene?
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene has a molecular weight of 238.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene is sourced from PubChem (CID 90221775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).