1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene

C13H16ClFO — CID 82727193

IUPAC1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFO/c1-9-2-4-10(5-3-9)16-11-6-7-12(14)13(15)8-11/h6-10H,2-5H2,1H3
InChIKeyMJZUOQABATWLJM-UHFFFAOYSA-N
MW242.72 g/mol
LogP4.44
Rot. Bonds2

About 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene

1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene (PubChem CID 82727193) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
PubChem CID82727193
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFO/c1-9-2-4-10(5-3-9)16-11-6-7-12(14)13(15)8-11/h6-10H,2-5H2,1H3
InChIKeyMJZUOQABATWLJM-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene (CID 82727193) is 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene is CC1CCC(Oc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene?
The InChIKey is MJZUOQABATWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-9-2-4-10(5-3-9)16-11-6-7-12(14)13(15)8-11/h6-10H,2-5H2,1H3.
What are the key properties of 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene?
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene has a molecular weight of 242.72 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 82727193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).