2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene

C15H21FO — CID 143507707

IUPAC2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
SMILESCc1cccc(OCC2CCC(C)CC2)c1F
InChIInChI=1S/C15H21FO/c1-11-6-8-13(9-7-11)10-17-14-5-3-4-12(2)15(14)16/h3-5,11,13H,6-10H2,1-2H3
InChIKeyDWYLVKSNGMBWQB-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.34
Rot. Bonds3

About 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene

2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene (PubChem CID 143507707) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
PubChem CID143507707
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
SMILESCc1cccc(OCC2CCC(C)CC2)c1F
InChIInChI=1S/C15H21FO/c1-11-6-8-13(9-7-11)10-17-14-5-3-4-12(2)15(14)16/h3-5,11,13H,6-10H2,1-2H3
InChIKeyDWYLVKSNGMBWQB-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene?
The IUPAC name of 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene (CID 143507707) is 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene is Cc1cccc(OCC2CCC(C)CC2)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene?
The InChIKey is DWYLVKSNGMBWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-11-6-8-13(9-7-11)10-17-14-5-3-4-12(2)15(14)16/h3-5,11,13H,6-10H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene?
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene has a molecular weight of 236.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 143507707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).