1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene

C15H20ClFO — CID 113453828

IUPAC1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
SMILESCOc1cccc(CC2CC(C)CCC2Cl)c1F
InChIInChI=1S/C15H20ClFO/c1-10-6-7-13(16)12(8-10)9-11-4-3-5-14(18-2)15(11)17/h3-5,10,12-13H,6-9H2,1-2H3
InChIKeyMEOVJAWIGIRZKT-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.42
Rot. Bonds3

About 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene

1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene (PubChem CID 113453828) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
PubChem CID113453828
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
SMILESCOc1cccc(CC2CC(C)CCC2Cl)c1F
InChIInChI=1S/C15H20ClFO/c1-10-6-7-13(16)12(8-10)9-11-4-3-5-14(18-2)15(11)17/h3-5,10,12-13H,6-9H2,1-2H3
InChIKeyMEOVJAWIGIRZKT-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-2-fluoro-3-methoxybenzene
CID 104795179
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene?
The IUPAC name of 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene (CID 113453828) is 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene.
What is the SMILES notation for 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene?
The canonical SMILES for 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene is COc1cccc(CC2CC(C)CCC2Cl)c1F.
What is the InChIKey of 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene?
The InChIKey is MEOVJAWIGIRZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10-6-7-13(16)12(8-10)9-11-4-3-5-14(18-2)15(11)17/h3-5,10,12-13H,6-9H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene?
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene has a molecular weight of 270.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene is sourced from PubChem (CID 113453828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).