2-ethoxy-6,7-dimethylnaphthalene-1,4-diol

C14H16O3 — CID 19886853

IUPAC2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
SMILESCCOc1cc(O)c2cc(C)c(C)cc2c1O
InChIInChI=1S/C14H16O3/c1-4-17-13-7-12(15)10-5-8(2)9(3)6-11(10)14(13)16/h5-7,15-16H,4H2,1-3H3
InChIKeyLTTRJASRMVEEQB-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.27
Rot. Bonds2

About 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol

2-ethoxy-6,7-dimethylnaphthalene-1,4-diol (PubChem CID 19886853) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
PubChem CID19886853
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
SMILESCCOc1cc(O)c2cc(C)c(C)cc2c1O
InChIInChI=1S/C14H16O3/c1-4-17-13-7-12(15)10-5-8(2)9(3)6-11(10)14(13)16/h5-7,15-16H,4H2,1-3H3
InChIKeyLTTRJASRMVEEQB-UHFFFAOYSA-N
XLogP3.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4,5-dimethylphenol
CID 82053903
2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol
CID 19886648
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841
3,4-diethoxy-7-ethylnaphthalen-1-ol
CID 19872804
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
CID 151326583
CID 151326583
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209
3,4,5-triethoxyphenol
CID 19754898
5-ethoxy-2,4-difluorophenol
CID 125116194

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol?
The IUPAC name of 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol (CID 19886853) is 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol.
What is the SMILES notation for 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol?
The canonical SMILES for 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol is CCOc1cc(O)c2cc(C)c(C)cc2c1O.
What is the InChIKey of 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol?
The InChIKey is LTTRJASRMVEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-17-13-7-12(15)10-5-8(2)9(3)6-11(10)14(13)16/h5-7,15-16H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol?
2-ethoxy-6,7-dimethylnaphthalene-1,4-diol has a molecular weight of 232.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,7-dimethylnaphthalene-1,4-diol is sourced from PubChem (CID 19886853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).