4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol

C24H22O6 — CID 162881425

IUPAC4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
SMILESCOc1cc(O)c(-c2c(C)cc(O)c3c(OC)c(O)ccc23)c2cc(C)cc(O)c12
InChIInChI=1S/C24H22O6/c1-11-7-14-21(16(26)8-11)19(29-3)10-18(28)22(14)20-12(2)9-17(27)23-13(20)5-6-15(25)24(23)30-4/h5-10,25-28H,1-4H3
InChIKeyAKPQZUDAFNJCQT-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.12
Rot. Bonds3

About 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol

4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol (PubChem CID 162881425) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol.

Molecular Properties

Compound Name4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
PubChem CID162881425
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
SMILESCOc1cc(O)c(-c2c(C)cc(O)c3c(OC)c(O)ccc23)c2cc(C)cc(O)c12
InChIInChI=1S/C24H22O6/c1-11-7-14-21(16(26)8-11)19(29-3)10-18(28)22(14)20-12(2)9-17(27)23-13(20)5-6-15(25)24(23)30-4/h5-10,25-28H,1-4H3
InChIKeyAKPQZUDAFNJCQT-UHFFFAOYSA-N
XLogP5.12
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol with MolForge

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Related Compounds

5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
CID 86198082
2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
CID 129115928
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol
CID 11666936
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486
(1S,3S)-5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15767943
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
CID 141413725
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
1-(2-hydroxy-6-propan-2-yloxynaphthalen-1-yl)-4-methoxy-7-propan-2-yloxyphenanthren-2-ol
CID 177471774
7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
CID 4534320

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol?
The IUPAC name of 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol (CID 162881425) is 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol.
What is the SMILES notation for 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol?
The canonical SMILES for 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol is COc1cc(O)c(-c2c(C)cc(O)c3c(OC)c(O)ccc23)c2cc(C)cc(O)c12.
What is the InChIKey of 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol?
The InChIKey is AKPQZUDAFNJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-11-7-14-21(16(26)8-11)19(29-3)10-18(28)22(14)20-12(2)9-17(27)23-13(20)5-6-15(25)24(23)30-4/h5-10,25-28H,1-4H3.
What are the key properties of 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol?
4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol has a molecular weight of 406.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol is sourced from PubChem (CID 162881425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).