6-hexylnaphthalen-2-ol

C16H20O — CID 16149

IUPAC6-hexylnaphthalen-2-ol
SMILESCCCCCCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H20O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h7-12,17H,2-6H2,1H3
InChIKeyYLSRNLBJYQACQD-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.67
Rot. Bonds5

About 6-hexylnaphthalen-2-ol

6-hexylnaphthalen-2-ol (PubChem CID 16149) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-hexylnaphthalen-2-ol.

Molecular Properties

Compound Name6-hexylnaphthalen-2-ol
PubChem CID16149
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name6-hexylnaphthalen-2-ol
SMILESCCCCCCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H20O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h7-12,17H,2-6H2,1H3
InChIKeyYLSRNLBJYQACQD-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.67
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

2-Naphthol
CID 8663
Dienestrol
CID 667476
1-Naphthol
CID 7005
Magnolol
CID 72300
Hexestrol
CID 192197
3,4-Dimethylphenol
CID 7249
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
Honokiol
CID 72303
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305

Frequently Asked Questions

What is the IUPAC name of 6-hexylnaphthalen-2-ol?
The IUPAC name of 6-hexylnaphthalen-2-ol (CID 16149) is 6-hexylnaphthalen-2-ol.
What is the SMILES notation for 6-hexylnaphthalen-2-ol?
The canonical SMILES for 6-hexylnaphthalen-2-ol is CCCCCCc1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-hexylnaphthalen-2-ol?
The InChIKey is YLSRNLBJYQACQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h7-12,17H,2-6H2,1H3.
What are the key properties of 6-hexylnaphthalen-2-ol?
6-hexylnaphthalen-2-ol has a molecular weight of 228.34 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexylnaphthalen-2-ol is sourced from PubChem (CID 16149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).