3,4,5,6,7,8-hexamethylnaphthalen-1-ol

C16H20O — CID 20665127

IUPAC3,4,5,6,7,8-hexamethylnaphthalen-1-ol
SMILESCc1cc(O)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C16H20O/c1-8-7-14(17)16-13(6)11(4)10(3)12(5)15(16)9(8)2/h7,17H,1-6H3
InChIKeyYAWZNHZTDKFSSD-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.40
Rot. Bonds

About 3,4,5,6,7,8-hexamethylnaphthalen-1-ol

3,4,5,6,7,8-hexamethylnaphthalen-1-ol (PubChem CID 20665127) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexamethylnaphthalen-1-ol.

Molecular Properties

Compound Name3,4,5,6,7,8-hexamethylnaphthalen-1-ol
PubChem CID20665127
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name3,4,5,6,7,8-hexamethylnaphthalen-1-ol
SMILESCc1cc(O)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C16H20O/c1-8-7-14(17)16-13(6)11(4)10(3)12(5)15(16)9(8)2/h7,17H,1-6H3
InChIKeyYAWZNHZTDKFSSD-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6,7,9,10-nonamethylpyrene
CID 59510092
3,4,5,7-tetramethylnaphthalen-1-ol
CID 91028901
3,4,5-trimethylnaphthalen-1-ol
CID 54424732
tris(6-hydroxy-2,3,4-trimethylphenyl) phosphate
CID 141018223
1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
CID 143700727
9,10-dimethylanthracene-2,3,6,7-tetrol
CID 14292597
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
3,4-dimethylnaphthalen-1-ol
CID 15915434
3,4-dimethyl-9H-carbazole-1,8-diol
CID 171715160
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
methane;3,4,5-trimethylphenol
CID 174273113
1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
CID 129267856

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8-hexamethylnaphthalen-1-ol?
The IUPAC name of 3,4,5,6,7,8-hexamethylnaphthalen-1-ol (CID 20665127) is 3,4,5,6,7,8-hexamethylnaphthalen-1-ol.
What is the SMILES notation for 3,4,5,6,7,8-hexamethylnaphthalen-1-ol?
The canonical SMILES for 3,4,5,6,7,8-hexamethylnaphthalen-1-ol is Cc1cc(O)c2c(C)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 3,4,5,6,7,8-hexamethylnaphthalen-1-ol?
The InChIKey is YAWZNHZTDKFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-8-7-14(17)16-13(6)11(4)10(3)12(5)15(16)9(8)2/h7,17H,1-6H3.
What are the key properties of 3,4,5,6,7,8-hexamethylnaphthalen-1-ol?
3,4,5,6,7,8-hexamethylnaphthalen-1-ol has a molecular weight of 228.33 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8-hexamethylnaphthalen-1-ol is sourced from PubChem (CID 20665127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).