1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol

C22H29FO — CID 139850039

IUPAC1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
SMILESCCCCCCC1CCC(c2ccc3c(F)c(O)ccc3c2)CC1
InChIInChI=1S/C22H29FO/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(24)22(20)23/h11-17,24H,2-10H2,1H3
InChIKeyNHUZVGQLGGIMQH-UHFFFAOYSA-N
MW328.47 g/mol
LogP6.93
Rot. Bonds6

About 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol

1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol (PubChem CID 139850039) has the molecular formula C22H29FO and a molecular weight of 328.47 g/mol. Its IUPAC name is 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
PubChem CID139850039
Molecular FormulaC22H29FO
Molecular Weight328.47 g/mol
Exact Mass328.22
IUPAC Name1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
SMILESCCCCCCC1CCC(c2ccc3c(F)c(O)ccc3c2)CC1
InChIInChI=1S/C22H29FO/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(24)22(20)23/h11-17,24H,2-10H2,1H3
InChIKeyNHUZVGQLGGIMQH-UHFFFAOYSA-N
XLogP6.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.47
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
[1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-yl] trifluoromethanesulfonate
CID 139850018
6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
6-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoronaphthalene
CID 20808175
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
2-[2-(4-butylphenyl)ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139877114
1-fluoro-6-(4-heptylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]naphthalene
CID 139851400

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol?
The IUPAC name of 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol (CID 139850039) is 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol.
What is the SMILES notation for 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol?
The canonical SMILES for 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol is CCCCCCC1CCC(c2ccc3c(F)c(O)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol?
The InChIKey is NHUZVGQLGGIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FO/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(24)22(20)23/h11-17,24H,2-10H2,1H3.
What are the key properties of 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol?
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol has a molecular weight of 328.47 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol is sourced from PubChem (CID 139850039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).