5,6-dihexylnaphthalen-2-ol

C22H32O — CID 67259351

IUPAC5,6-dihexylnaphthalen-2-ol
SMILESCCCCCCc1ccc2cc(O)ccc2c1CCCCCC
InChIInChI=1S/C22H32O/c1-3-5-7-9-11-18-13-14-19-17-20(23)15-16-22(19)21(18)12-10-8-6-4-2/h13-17,23H,3-12H2,1-2H3
InChIKeySDNJJYYHSMEAGE-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.79
Rot. Bonds10

About 5,6-dihexylnaphthalen-2-ol

5,6-dihexylnaphthalen-2-ol (PubChem CID 67259351) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is 5,6-dihexylnaphthalen-2-ol.

Molecular Properties

Compound Name5,6-dihexylnaphthalen-2-ol
PubChem CID67259351
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name5,6-dihexylnaphthalen-2-ol
SMILESCCCCCCc1ccc2cc(O)ccc2c1CCCCCC
InChIInChI=1S/C22H32O/c1-3-5-7-9-11-18-13-14-19-17-20(23)15-16-22(19)21(18)12-10-8-6-4-2/h13-17,23H,3-12H2,1-2H3
InChIKeySDNJJYYHSMEAGE-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.79
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

5,6-dioctylnaphthalen-2-ol
CID 67259001
5,6-di(pentadecyl)naphthalene-2-sulfonic acid
CID 101319747
5,6-di(undecyl)naphthalene-2-sulfonic acid
CID 101319581
5,6-di(heptadecyl)naphthalene-2-sulfonic acid
CID 101319831
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
4-tricosylbenzene-1,3-diol
CID 101133990
3,4,9,10-tetradodecylpicene
CID 58426518
CID 66933436
CID 66933436
CID 162312155
CID 162312155
3-methyl-4-octylphenol
CID 67863636
sodium 5,6-dioctylnaphthalene-2-sulfonate
CID 101325072

Frequently Asked Questions

What is the IUPAC name of 5,6-dihexylnaphthalen-2-ol?
The IUPAC name of 5,6-dihexylnaphthalen-2-ol (CID 67259351) is 5,6-dihexylnaphthalen-2-ol.
What is the SMILES notation for 5,6-dihexylnaphthalen-2-ol?
The canonical SMILES for 5,6-dihexylnaphthalen-2-ol is CCCCCCc1ccc2cc(O)ccc2c1CCCCCC.
What is the InChIKey of 5,6-dihexylnaphthalen-2-ol?
The InChIKey is SDNJJYYHSMEAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O/c1-3-5-7-9-11-18-13-14-19-17-20(23)15-16-22(19)21(18)12-10-8-6-4-2/h13-17,23H,3-12H2,1-2H3.
What are the key properties of 5,6-dihexylnaphthalen-2-ol?
5,6-dihexylnaphthalen-2-ol has a molecular weight of 312.50 g/mol, XLogP of 6.79, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihexylnaphthalen-2-ol is sourced from PubChem (CID 67259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).