5,7-dimethoxy-3-methylnaphthalen-1-ol

C13H14O3 — CID 15404113

IUPAC5,7-dimethoxy-3-methylnaphthalen-1-ol
SMILESCOc1cc(OC)c2cc(C)cc(O)c2c1
InChIInChI=1S/C13H14O3/c1-8-4-11-10(12(14)5-8)6-9(15-2)7-13(11)16-3/h4-7,14H,1-3H3
InChIKeyKPGAPEADRITPBC-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.87
Rot. Bonds2

About 5,7-dimethoxy-3-methylnaphthalen-1-ol

5,7-dimethoxy-3-methylnaphthalen-1-ol (PubChem CID 15404113) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5,7-dimethoxy-3-methylnaphthalen-1-ol.

Molecular Properties

Compound Name5,7-dimethoxy-3-methylnaphthalen-1-ol
PubChem CID15404113
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5,7-dimethoxy-3-methylnaphthalen-1-ol
SMILESCOc1cc(OC)c2cc(C)cc(O)c2c1
InChIInChI=1S/C13H14O3/c1-8-4-11-10(12(14)5-8)6-9(15-2)7-13(11)16-3/h4-7,14H,1-3H3
InChIKeyKPGAPEADRITPBC-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-methylnaphthalen-1-ol
CID 14832999
2-(2-hydroxy-4-methoxy-6-methylphenoxy)-6-methoxy-4-methylphenol
CID 44715357
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
1,3,7-trimethoxynaphthalene
CID 102088907
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
CID 22900363

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-methylnaphthalen-1-ol?
The IUPAC name of 5,7-dimethoxy-3-methylnaphthalen-1-ol (CID 15404113) is 5,7-dimethoxy-3-methylnaphthalen-1-ol.
What is the SMILES notation for 5,7-dimethoxy-3-methylnaphthalen-1-ol?
The canonical SMILES for 5,7-dimethoxy-3-methylnaphthalen-1-ol is COc1cc(OC)c2cc(C)cc(O)c2c1.
What is the InChIKey of 5,7-dimethoxy-3-methylnaphthalen-1-ol?
The InChIKey is KPGAPEADRITPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-4-11-10(12(14)5-8)6-9(15-2)7-13(11)16-3/h4-7,14H,1-3H3.
What are the key properties of 5,7-dimethoxy-3-methylnaphthalen-1-ol?
5,7-dimethoxy-3-methylnaphthalen-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-methylnaphthalen-1-ol is sourced from PubChem (CID 15404113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).