6,7,8-trimethoxynaphthalen-1-ol

C13H14O4 — CID 15073678

IUPAC6,7,8-trimethoxynaphthalen-1-ol
SMILESCOc1cc2cccc(O)c2c(OC)c1OC
InChIInChI=1S/C13H14O4/c1-15-10-7-8-5-4-6-9(14)11(8)13(17-3)12(10)16-2/h4-7,14H,1-3H3
InChIKeyJKPWPDUONTXDCT-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.57
Rot. Bonds3

About 6,7,8-trimethoxynaphthalen-1-ol

6,7,8-trimethoxynaphthalen-1-ol (PubChem CID 15073678) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6,7,8-trimethoxynaphthalen-1-ol.

Molecular Properties

Compound Name6,7,8-trimethoxynaphthalen-1-ol
PubChem CID15073678
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name6,7,8-trimethoxynaphthalen-1-ol
SMILESCOc1cc2cccc(O)c2c(OC)c1OC
InChIInChI=1S/C13H14O4/c1-15-10-7-8-5-4-6-9(14)11(8)13(17-3)12(10)16-2/h4-7,14H,1-3H3
InChIKeyJKPWPDUONTXDCT-UHFFFAOYSA-N
XLogP2.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,8-tetramethoxynaphthalene
CID 91328449
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
2,3,4-trimethoxybenzo[8]annulene-5,6-dione
CID 71411380
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
6-amino-8-methoxynaphthalen-1-ol
CID 105443482
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
2-ethyl-3-methoxy-8-methylnaphthalen-1-ol
CID 14616022
5-methoxybenzo[c]phenanthrene
CID 621003
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
CID 102302660

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxynaphthalen-1-ol?
The IUPAC name of 6,7,8-trimethoxynaphthalen-1-ol (CID 15073678) is 6,7,8-trimethoxynaphthalen-1-ol.
What is the SMILES notation for 6,7,8-trimethoxynaphthalen-1-ol?
The canonical SMILES for 6,7,8-trimethoxynaphthalen-1-ol is COc1cc2cccc(O)c2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxynaphthalen-1-ol?
The InChIKey is JKPWPDUONTXDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-15-10-7-8-5-4-6-9(14)11(8)13(17-3)12(10)16-2/h4-7,14H,1-3H3.
What are the key properties of 6,7,8-trimethoxynaphthalen-1-ol?
6,7,8-trimethoxynaphthalen-1-ol has a molecular weight of 234.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxynaphthalen-1-ol is sourced from PubChem (CID 15073678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).