6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol

C25H22O4 — CID 102302660

IUPAC6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
SMILESCOc1cc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2c(OC)c1OC
InChIInChI=1S/C25H22O4/c1-27-20-15-18-14-19(16-10-6-4-7-11-16)23(26)21(17-12-8-5-9-13-17)22(18)25(29-3)24(20)28-2/h4-15,26H,1-3H3
InChIKeyHCAOKXCTUJOKTK-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.91
Rot. Bonds5

About 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol

6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol (PubChem CID 102302660) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol.

Molecular Properties

Compound Name6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
PubChem CID102302660
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
SMILESCOc1cc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2c(OC)c1OC
InChIInChI=1S/C25H22O4/c1-27-20-15-18-14-19(16-10-6-4-7-11-16)23(26)21(17-12-8-5-9-13-17)22(18)25(29-3)24(20)28-2/h4-15,26H,1-3H3
InChIKeyHCAOKXCTUJOKTK-UHFFFAOYSA-N
XLogP5.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539
2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
CID 67972181
2,3-dimethoxy-5-phenylphenol
CID 135042969
3,9,10,11-tetramethoxy-8-methyl-2-(4-phenylphenyl)isoquinolino[2,1-b]isoquinolin-7-ium
CID 66618857
3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol?
The IUPAC name of 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol (CID 102302660) is 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol.
What is the SMILES notation for 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol?
The canonical SMILES for 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol is COc1cc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol?
The InChIKey is HCAOKXCTUJOKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-27-20-15-18-14-19(16-10-6-4-7-11-16)23(26)21(17-12-8-5-9-13-17)22(18)25(29-3)24(20)28-2/h4-15,26H,1-3H3.
What are the key properties of 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol?
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol has a molecular weight of 386.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol is sourced from PubChem (CID 102302660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).