6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol

C28H30F4O — CID 139849979

IUPAC6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
SMILESCCCCCCC1CCC(c2cc(F)c(-c3cc(F)c4c(F)c(O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C28H30F4O/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-14-22(29)26(23(30)15-20)21-13-19-11-12-25(33)28(32)27(19)24(31)16-21/h11-18,33H,2-10H2,1H3
InChIKeyAGGOJOJWCJONDH-UHFFFAOYSA-N
MW458.54 g/mol
LogP9.01
Rot. Bonds7

About 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol

6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol (PubChem CID 139849979) has the molecular formula C28H30F4O and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
PubChem CID139849979
Molecular FormulaC28H30F4O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
SMILESCCCCCCC1CCC(c2cc(F)c(-c3cc(F)c4c(F)c(O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C28H30F4O/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-14-22(29)26(23(30)15-20)21-13-19-11-12-25(33)28(32)27(19)24(31)16-21/h11-18,33H,2-10H2,1H3
InChIKeyAGGOJOJWCJONDH-UHFFFAOYSA-N
XLogP9.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol 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

6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-8-fluoronaphthalen-2-ol
CID 139849922
6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
CID 139849915
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
6-[2,6-difluoro-4-(4-heptylcyclohexyl)phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856611
6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
CID 139850031
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
CID 139855726
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855660
CID 162030737
CID 162030737

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol?
The IUPAC name of 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol (CID 139849979) is 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol.
What is the SMILES notation for 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol?
The canonical SMILES for 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol is CCCCCCC1CCC(c2cc(F)c(-c3cc(F)c4c(F)c(O)ccc4c3)c(F)c2)CC1.
What is the InChIKey of 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol?
The InChIKey is AGGOJOJWCJONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4O/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-14-22(29)26(23(30)15-20)21-13-19-11-12-25(33)28(32)27(19)24(31)16-21/h11-18,33H,2-10H2,1H3.
What are the key properties of 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol?
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol has a molecular weight of 458.54 g/mol, XLogP of 9.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol is sourced from PubChem (CID 139849979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).