1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol

C25H33FO — CID 139849901

IUPAC1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
SMILESCCCC1CCC(C2CCC(c3ccc4c(F)c(O)ccc4c3)CC2)CC1
InChIInChI=1S/C25H33FO/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(27)25(23)26/h12-20,27H,2-11H2,1H3
InChIKeyNDLLGNNCMFMLNJ-UHFFFAOYSA-N
MW368.54 g/mol
LogP7.56
Rot. Bonds4

About 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol

1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol (PubChem CID 139849901) has the molecular formula C25H33FO and a molecular weight of 368.54 g/mol. Its IUPAC name is 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
PubChem CID139849901
Molecular FormulaC25H33FO
Molecular Weight368.54 g/mol
Exact Mass368.25
IUPAC Name1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
SMILESCCCC1CCC(C2CCC(c3ccc4c(F)c(O)ccc4c3)CC2)CC1
InChIInChI=1S/C25H33FO/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(27)25(23)26/h12-20,27H,2-11H2,1H3
InChIKeyNDLLGNNCMFMLNJ-UHFFFAOYSA-N
XLogP7.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
CID 139850031
1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
CID 139875825
2-[2-(4-chloro-3,5-difluorophenyl)ethynyl]-1-fluoro-6-(4-propylcyclohexyl)naphthalene
CID 139851021
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol?
The IUPAC name of 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol (CID 139849901) is 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol.
What is the SMILES notation for 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol?
The canonical SMILES for 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol is CCCC1CCC(C2CCC(c3ccc4c(F)c(O)ccc4c3)CC2)CC1.
What is the InChIKey of 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol?
The InChIKey is NDLLGNNCMFMLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FO/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(27)25(23)26/h12-20,27H,2-11H2,1H3.
What are the key properties of 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol?
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol has a molecular weight of 368.54 g/mol, XLogP of 7.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol is sourced from PubChem (CID 139849901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).