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

C15H20F2O — CID 20742506

IUPAC2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
SMILESCOc1ccc(CC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H20F2O/c1-10-3-5-11(6-4-10)9-12-7-8-13(18-2)15(17)14(12)16/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRAPNBXWHPSCUCP-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.34
Rot. Bonds3

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

2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 20742506) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
PubChem CID20742506
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
SMILESCOc1ccc(CC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H20F2O/c1-10-3-5-11(6-4-10)9-12-7-8-13(18-2)15(17)14(12)16/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRAPNBXWHPSCUCP-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methyl]-2,3-difluoro-4-methoxybenzene
CID 123364242
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
CID 161186786
CID 161186786
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
3-fluoro-1-[(4-methoxycyclohexyl)methyl]-2-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene
CID 58212285
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59705776
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
CID 142810006
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene (CID 20742506) is 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene is COc1ccc(CC2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is RAPNBXWHPSCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-10-3-5-11(6-4-10)9-12-7-8-13(18-2)15(17)14(12)16/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene?
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 254.32 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 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 20742506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).