2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene

C28H36F2O — CID 139848448

IUPAC2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCOc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C28H36F2O/c1-3-5-19-6-8-20(9-7-19)24-17-26(29)28(27(30)18-24)23-11-10-22-16-25(31-14-4-2)13-12-21(22)15-23/h12-13,16-20,23H,3-11,14-15H2,1-2H3
InChIKeyWIHPQKLKEBANAV-UHFFFAOYSA-N
MW426.59 g/mol
LogP8.10
Rot. Bonds7

About 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene

2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848448) has the molecular formula C28H36F2O and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139848448
Molecular FormulaC28H36F2O
Molecular Weight426.59 g/mol
Exact Mass426.27
IUPAC Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCOc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C28H36F2O/c1-3-5-19-6-8-20(9-7-19)24-17-26(29)28(27(30)18-24)23-11-10-22-16-25(31-14-4-2)13-12-21(22)15-23/h12-13,16-20,23H,3-11,14-15H2,1-2H3
InChIKeyWIHPQKLKEBANAV-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848399
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959
6-but-2-enoxy-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849866
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
6-but-2-enoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848843
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139848699
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene (CID 139848448) is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene is CCCOc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2.
What is the InChIKey of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WIHPQKLKEBANAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2O/c1-3-5-19-6-8-20(9-7-19)24-17-26(29)28(27(30)18-24)23-11-10-22-16-25(31-14-4-2)13-12-21(22)15-23/h12-13,16-20,23H,3-11,14-15H2,1-2H3.
What are the key properties of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 426.59 g/mol, XLogP of 8.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).