2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde

C24H22O3 — CID 159879236

IUPAC2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2c(O)c(C)ccc2c1.Cc1ccc2c(O)c(C=O)ccc2c1
InChIInChI=1S/C12H10O2.C12H12O/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h2-7,14H,1H3;3-7,13H,1-2H3
InChIKeyNTHVIJDSLUFQEV-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.83
Rot. Bonds1

About 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde

2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde (PubChem CID 159879236) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
PubChem CID159879236
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2c(O)c(C)ccc2c1.Cc1ccc2c(O)c(C=O)ccc2c1
InChIInChI=1S/C12H10O2.C12H12O/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h2-7,14H,1H3;3-7,13H,1-2H3
InChIKeyNTHVIJDSLUFQEV-UHFFFAOYSA-N
XLogP5.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 90141664
3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
CID 59582482
5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84670071
2,5-dimethylbenzaldehyde;ethane
CID 142106726
[difluoro-(6-formyl-5-hydroxynaphthalen-2-yl)methyl]phosphonic acid
CID 71419605
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
CID 158189800
2,7-dimethylphenanthrene;ethane
CID 91503011
6-methylnaphthalene-1,2,3-triol
CID 22497955
4,6-dimethylnaphthalen-2-ol
CID 56931272
7-methylnaphthalene-1-carbaldehyde
CID 15657410
2-iodyl-4-methylbenzaldehyde
CID 172555476

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The IUPAC name of 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde (CID 159879236) is 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The canonical SMILES for 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde is Cc1ccc2c(O)c(C)ccc2c1.Cc1ccc2c(O)c(C=O)ccc2c1.
What is the InChIKey of 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The InChIKey is NTHVIJDSLUFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C12H12O/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h2-7,14H,1H3;3-7,13H,1-2H3.
What are the key properties of 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde has a molecular weight of 358.44 g/mol, XLogP of 5.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 159879236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).