3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol

C18H24O4 — CID 72792790

IUPAC3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
SMILESCOCc1c(O)c(OC)c(C(C)C)c2cc(C)cc(OC)c12
InChIInChI=1S/C18H24O4/c1-10(2)15-12-7-11(3)8-14(21-5)16(12)13(9-20-4)17(19)18(15)22-6/h7-8,10,19H,9H2,1-6H3
InChIKeyFEXAWRYSAHKILF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.14
Rot. Bonds5

About 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol

3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol (PubChem CID 72792790) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
PubChem CID72792790
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
SMILESCOCc1c(O)c(OC)c(C(C)C)c2cc(C)cc(OC)c12
InChIInChI=1S/C18H24O4/c1-10(2)15-12-7-11(3)8-14(21-5)16(12)13(9-20-4)17(19)18(15)22-6/h7-8,10,19H,9H2,1-6H3
InChIKeyFEXAWRYSAHKILF-UHFFFAOYSA-N
XLogP4.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
6-[6,7-dihydroxy-8-(hydroxymethyl)-1-methoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-4-(hydroxymethyl)-5-methoxy-7-methyl-1-propan-2-ylnaphthalene-2,3-diol
CID 15708699
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene
CID 137433400
7-(8-formyl-1,7-dihydroxy-6-methoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
CID 3085061
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol (CID 72792790) is 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol is COCc1c(O)c(OC)c(C(C)C)c2cc(C)cc(OC)c12.
What is the InChIKey of 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The InChIKey is FEXAWRYSAHKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-10(2)15-12-7-11(3)8-14(21-5)16(12)13(9-20-4)17(19)18(15)22-6/h7-8,10,19H,9H2,1-6H3.
What are the key properties of 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol has a molecular weight of 304.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 72792790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).