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481-85-6 molecular structure
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2-methylnaphthalene-1,4-diol

ChemBase ID: 128253
Molecular Formular: C11H10O2
Molecular Mass: 174.1959
Monoisotopic Mass: 174.06807956
SMILES and InChIs

SMILES:
Oc1c2ccccc2c(O)c(c1)C
Canonical SMILES:
Oc1cc(C)c(c2c1cccc2)O
InChI:
InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKey:
ZJTLZYDQJHKRMQ-UHFFFAOYSA-N

Cite this record

CBID:128253 http://www.chembase.cn/molecule-128253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylnaphthalene-1,4-diol
IUPAC Traditional name
menadiol
Synonyms
2-Methyl-1,4-naphthalenediol
2-Methyl-1,4-dihydroxynaphthalene
Menadiol
CAS Number
481-85-6
PubChem SID
162222562
PubChem CID
10209
Chemspider ID
9794
Unique Ingredient Identifier
VQ093653DO
Wikipedia Title
Menadiol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.533565  H Acceptors
H Donor LogD (pH = 5.5) 2.8689733 
LogD (pH = 7.4) 2.865849  Log P 2.8690133 
Molar Refractivity 51.5112 cm3 Polarizability 20.843985 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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