2-methyl-3,5-dimethylidenenaphthalene-1,4-diol

C13H12O2 — CID 90856787

IUPAC2-methyl-3,5-dimethylidenenaphthalene-1,4-diol
SMILESC=c1c(C)c(O)c2cccc(=C)c2c1O
InChIInChI=1S/C13H12O2/c1-7-5-4-6-10-11(7)13(15)9(3)8(2)12(10)14/h4-6,14-15H,1,3H2,2H3
InChIKeyYXSHLLKKAFWHLU-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.38
Rot. Bonds

About 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol

2-methyl-3,5-dimethylidenenaphthalene-1,4-diol (PubChem CID 90856787) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol.

Molecular Properties

Compound Name2-methyl-3,5-dimethylidenenaphthalene-1,4-diol
PubChem CID90856787
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-methyl-3,5-dimethylidenenaphthalene-1,4-diol
SMILESC=c1c(C)c(O)c2cccc(=C)c2c1O
InChIInChI=1S/C13H12O2/c1-7-5-4-6-10-11(7)13(15)9(3)8(2)12(10)14/h4-6,14-15H,1,3H2,2H3
InChIKeyYXSHLLKKAFWHLU-UHFFFAOYSA-N
XLogP1.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-Biphenylenediol, 2,7-dimethyl-
CID 10976766
1,5-Biphenylenediol
CID 13541361
1,8-Biphenylendiol
CID 13541363
m-Xylohydrochinon
CID 19733893
Ethyldihydroresorcinol
CID 22672483
2,8-Dimethylidenenaphthalene-1,4-diol
CID 53815679
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
4,4-Dihydroxyphenylpropane
CID 66628745
2,4,6-Trimethylchinol
CID 68158760
(+)-cis-(1s,2r)-Dihydroxy-3-methylcyclohexa-3,5-diene
CID 69293094
Tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol
CID 77156845
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
CID 135566303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol?
The IUPAC name of 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol (CID 90856787) is 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol.
What is the SMILES notation for 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol?
The canonical SMILES for 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol is C=c1c(C)c(O)c2cccc(=C)c2c1O.
What is the InChIKey of 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol?
The InChIKey is YXSHLLKKAFWHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-7-5-4-6-10-11(7)13(15)9(3)8(2)12(10)14/h4-6,14-15H,1,3H2,2H3.
What are the key properties of 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol?
2-methyl-3,5-dimethylidenenaphthalene-1,4-diol has a molecular weight of 200.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dimethylidenenaphthalene-1,4-diol is sourced from PubChem (CID 90856787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).