2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene

C16H22F2O — CID 53418388

IUPAC2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3
InChIKeyIMPPBANBBAQKPL-UHFFFAOYSA-N
MW268.35 g/mol
LogP5.05
Rot. Bonds4

About 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene

2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene (PubChem CID 53418388) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene
PubChem CID53418388
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3
InChIKeyIMPPBANBBAQKPL-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene (CID 53418388) is 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OC)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene?
The InChIKey is IMPPBANBBAQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene?
2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene has a molecular weight of 268.35 g/mol, XLogP of 5.05, 4 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-propylcyclohexyl)benzene is sourced from PubChem (CID 53418388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).