2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol

C40H44O3 — CID 158189800

IUPAC2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
SMILESCc1cc2cc(C)c(C)c(O)c2cc1C.Cc1ccc2c(O)c(C)c(C)cc2c1.Cc1ccc2cc(C)c(C)c(O)c2c1
InChIInChI=1S/C14H16O.2C13H14O/c1-8-5-12-6-10(3)11(4)14(15)13(12)7-9(8)2;1-8-4-5-12-11(6-8)7-9(2)10(3)13(12)14;1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h5-7,15H,1-4H3;2*4-7,14H,1-3H3
InChIKeyFZPJKJDNFFUTHC-UHFFFAOYSA-N
MW572.79 g/mol
LogP10.72
Rot. Bonds

About 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol

2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol (PubChem CID 158189800) has the molecular formula C40H44O3 and a molecular weight of 572.79 g/mol. Its IUPAC name is 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol.

Molecular Properties

Compound Name2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
PubChem CID158189800
Molecular FormulaC40H44O3
Molecular Weight572.79 g/mol
Exact Mass572.33
IUPAC Name2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
SMILESCc1cc2cc(C)c(C)c(O)c2cc1C.Cc1ccc2c(O)c(C)c(C)cc2c1.Cc1ccc2cc(C)c(C)c(O)c2c1
InChIInChI=1S/C14H16O.2C13H14O/c1-8-5-12-6-10(3)11(4)14(15)13(12)7-9(8)2;1-8-4-5-12-11(6-8)7-9(2)10(3)13(12)14;1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h5-7,15H,1-4H3;2*4-7,14H,1-3H3
InChIKeyFZPJKJDNFFUTHC-UHFFFAOYSA-N
XLogP10.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.79
LogP ≤ 510.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91503011
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CID 164992833
6-methylnaphthalene-1,2,3-triol
CID 22497955
9-(2,3-dimethylanthracen-9-yl)-2,3,6-trimethylanthracene
CID 123193685
1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 90141664
4,6-dimethylnaphthalen-2-ol
CID 56931272
2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 159879236
7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol
CID 54342152
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
CID 158674501
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol?
The IUPAC name of 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol (CID 158189800) is 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol.
What is the SMILES notation for 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol?
The canonical SMILES for 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol is Cc1cc2cc(C)c(C)c(O)c2cc1C.Cc1ccc2c(O)c(C)c(C)cc2c1.Cc1ccc2cc(C)c(C)c(O)c2c1.
What is the InChIKey of 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol?
The InChIKey is FZPJKJDNFFUTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.2C13H14O/c1-8-5-12-6-10(3)11(4)14(15)13(12)7-9(8)2;1-8-4-5-12-11(6-8)7-9(2)10(3)13(12)14;1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h5-7,15H,1-4H3;2*4-7,14H,1-3H3.
What are the key properties of 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol?
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol has a molecular weight of 572.79 g/mol, XLogP of 10.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol is sourced from PubChem (CID 158189800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).