6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C23H36O — CID 139877548

IUPAC6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCCC1CCC(CCC2CCc3cc(O)ccc3C2)CC1
InChIInChI=1S/C23H36O/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-17-23(24)15-14-21(22)16-20/h14-15,17-20,24H,2-13,16H2,1H3
InChIKeyHWRQLMKZRUQHFM-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.66
Rot. Bonds7

About 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 139877548) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID139877548
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCCC1CCC(CCC2CCc3cc(O)ccc3C2)CC1
InChIInChI=1S/C23H36O/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-17-23(24)15-14-21(22)16-20/h14-15,17-20,24H,2-13,16H2,1H3
InChIKeyHWRQLMKZRUQHFM-UHFFFAOYSA-N
XLogP6.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.66
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

6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998596
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307
6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139848305
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279
2-[6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]butane-1,4-diol
CID 145411363
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 23636110

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 139877548) is 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCCCC1CCC(CCC2CCc3cc(O)ccc3C2)CC1.
What is the InChIKey of 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is HWRQLMKZRUQHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-17-23(24)15-14-21(22)16-20/h14-15,17-20,24H,2-13,16H2,1H3.
What are the key properties of 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 328.54 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 139877548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).