6-(4-pentylcyclohexyl)naphthalen-2-ol

C21H28O — CID 139850093

IUPAC6-(4-pentylcyclohexyl)naphthalen-2-ol
SMILESCCCCCC1CCC(c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C21H28O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17,22H,2-9H2,1H3
InChIKeyIGQBZLVSTRFZKY-UHFFFAOYSA-N
MW296.45 g/mol
LogP6.40
Rot. Bonds5

About 6-(4-pentylcyclohexyl)naphthalen-2-ol

6-(4-pentylcyclohexyl)naphthalen-2-ol (PubChem CID 139850093) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-(4-pentylcyclohexyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-pentylcyclohexyl)naphthalen-2-ol
PubChem CID139850093
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name6-(4-pentylcyclohexyl)naphthalen-2-ol
SMILESCCCCCC1CCC(c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C21H28O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17,22H,2-9H2,1H3
InChIKeyIGQBZLVSTRFZKY-UHFFFAOYSA-N
XLogP6.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 56.40
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

4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
2-bromo-6-(4-pentylcyclohexyl)naphthalene
CID 20500242
2-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
[6-(4-heptylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500391
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-8-fluoronaphthalen-2-ol
CID 139849922
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774

Frequently Asked Questions

What is the IUPAC name of 6-(4-pentylcyclohexyl)naphthalen-2-ol?
The IUPAC name of 6-(4-pentylcyclohexyl)naphthalen-2-ol (CID 139850093) is 6-(4-pentylcyclohexyl)naphthalen-2-ol.
What is the SMILES notation for 6-(4-pentylcyclohexyl)naphthalen-2-ol?
The canonical SMILES for 6-(4-pentylcyclohexyl)naphthalen-2-ol is CCCCCC1CCC(c2ccc3cc(O)ccc3c2)CC1.
What is the InChIKey of 6-(4-pentylcyclohexyl)naphthalen-2-ol?
The InChIKey is IGQBZLVSTRFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17,22H,2-9H2,1H3.
What are the key properties of 6-(4-pentylcyclohexyl)naphthalen-2-ol?
6-(4-pentylcyclohexyl)naphthalen-2-ol has a molecular weight of 296.45 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pentylcyclohexyl)naphthalen-2-ol is sourced from PubChem (CID 139850093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).