5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol

C21H22O3 — CID 11666936

IUPAC5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol
SMILESCOc1ccc(OC)c2c(O)c(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C21H22O3/c1-12-10-13(2)19(14(3)11-12)16-7-6-15-17(23-4)8-9-18(24-5)20(15)21(16)22/h6-11,22H,1-5H3
InChIKeyJVIUMVZSFZMNDB-UHFFFAOYSA-N
MW322.40 g/mol
LogP5.15
Rot. Bonds3

About 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol

5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol (PubChem CID 11666936) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol
PubChem CID11666936
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol
SMILESCOc1ccc(OC)c2c(O)c(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C21H22O3/c1-12-10-13(2)19(14(3)11-12)16-7-6-15-17(23-4)8-9-18(24-5)20(15)21(16)22/h6-11,22H,1-5H3
InChIKeyJVIUMVZSFZMNDB-UHFFFAOYSA-N
XLogP5.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
CID 141413725
4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
CID 162881425
25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)
CID 56655306
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142771787
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol?
The IUPAC name of 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol (CID 11666936) is 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol.
What is the SMILES notation for 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol?
The canonical SMILES for 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol is COc1ccc(OC)c2c(O)c(-c3c(C)cc(C)cc3C)ccc12.
What is the InChIKey of 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol?
The InChIKey is JVIUMVZSFZMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-12-10-13(2)19(14(3)11-12)16-7-6-15-17(23-4)8-9-18(24-5)20(15)21(16)22/h6-11,22H,1-5H3.
What are the key properties of 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol?
5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol has a molecular weight of 322.40 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol is sourced from PubChem (CID 11666936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).