6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol

C24H30F2O — CID 139850031

IUPAC6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
SMILESCCC1CCC(C2CCC(c3cc(F)c4c(F)c(O)ccc4c3)CC2)CC1
InChIInChI=1S/C24H30F2O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19-11-12-22(27)24(26)23(19)21(25)14-20/h11-18,27H,2-10H2,1H3
InChIKeySZVXSIWNMSYAHP-UHFFFAOYSA-N
MW372.50 g/mol
LogP7.31
Rot. Bonds3

About 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol

6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol (PubChem CID 139850031) has the molecular formula C24H30F2O and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
PubChem CID139850031
Molecular FormulaC24H30F2O
Molecular Weight372.50 g/mol
Exact Mass372.23
IUPAC Name6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
SMILESCCC1CCC(C2CCC(c3cc(F)c4c(F)c(O)ccc4c3)CC2)CC1
InChIInChI=1S/C24H30F2O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19-11-12-22(27)24(26)23(19)21(25)14-20/h11-18,27H,2-10H2,1H3
InChIKeySZVXSIWNMSYAHP-UHFFFAOYSA-N
XLogP7.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
CID 139849979
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,8-trifluoronaphthalene-2-carboxylic acid
CID 141020388
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]ethoxy]ethyl]-1,3-difluorobenzene
CID 140976229
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[3-[3-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976214
6-[6-(4-ethylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3-trifluoronaphthalene
CID 139868353
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
3-[(E)-but-2-enoxy]-6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,8-trifluoronaphthalene
CID 22383298

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol?
The IUPAC name of 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol (CID 139850031) is 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol.
What is the SMILES notation for 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol?
The canonical SMILES for 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol is CCC1CCC(C2CCC(c3cc(F)c4c(F)c(O)ccc4c3)CC2)CC1.
What is the InChIKey of 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol?
The InChIKey is SZVXSIWNMSYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19-11-12-22(27)24(26)23(19)21(25)14-20/h11-18,27H,2-10H2,1H3.
What are the key properties of 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol?
6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol has a molecular weight of 372.50 g/mol, XLogP of 7.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol is sourced from PubChem (CID 139850031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).