2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione

C11H10O4 — CID 70396828

IUPAC2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
SMILESCC1(O)C(=O)c2ccccc2C(=O)C1O
InChIInChI=1S/C11H10O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14-15H,1H3
InChIKeyNHFAXJCCUCSEQO-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.18
Rot. Bonds

About 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione

2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione (PubChem CID 70396828) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
PubChem CID70396828
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
SMILESCC1(O)C(=O)c2ccccc2C(=O)C1O
InChIInChI=1S/C11H10O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14-15H,1H3
InChIKeyNHFAXJCCUCSEQO-UHFFFAOYSA-N
XLogP0.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2,3-dihydroxy-3-(4-methylphenyl)-2H-naphthalene-1,4-dione
CID 168852274
(2S,3R)-2,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]-2H-naphthalene-1,4-dione
CID 170010040
2-hydroxyindene-1,3-dione
CID 10219583
(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione
CID 131004983
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(1aS,7S,7aS)-7-hydroxy-7a-methyl-1a,7-dihydronaphtho[2,3-b]oxiren-2-one
CID 132602227
4-hydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydrobenzo[g]chromene-5,10-dione
CID 162817724
(4S,4aR,10aR)-4-hydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydrobenzo[g]chromene-5,10-dione
CID 132989066
9a-methyl-3-phenyl-4aH-anthracene-9,10-dione
CID 70960677
[(2aS,8aR)-2,2-dimethyl-3,8-dioxo-1,8a-dihydrocyclobuta[b]naphthalen-2a-yl] acetate
CID 15258350
3-hydroxy-3-methyl-2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-2H-naphthalene-1,4-dione
CID 11953813

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione?
The IUPAC name of 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione (CID 70396828) is 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione.
What is the SMILES notation for 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione?
The canonical SMILES for 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione is CC1(O)C(=O)c2ccccc2C(=O)C1O.
What is the InChIKey of 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione?
The InChIKey is NHFAXJCCUCSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14-15H,1H3.
What are the key properties of 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione?
2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione has a molecular weight of 206.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione is sourced from PubChem (CID 70396828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).