4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol

C19H20O3 — CID 12021667

IUPAC4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol
SMILESCOC1=C(C)CC(O)(c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C19H20O3/c1-13-12-19(20,14-8-5-4-6-9-14)15-10-7-11-16(21-2)17(15)18(13)22-3/h4-11,20H,12H2,1-3H3
InChIKeyFBXGAFYIJIGXPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.71
Rot. Bonds3

About 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol

4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol (PubChem CID 12021667) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol.

Molecular Properties

Compound Name4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol
PubChem CID12021667
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol
SMILESCOC1=C(C)CC(O)(c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C19H20O3/c1-13-12-19(20,14-8-5-4-6-9-14)15-10-7-11-16(21-2)17(15)18(13)22-3/h4-11,20H,12H2,1-3H3
InChIKeyFBXGAFYIJIGXPE-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol?
The IUPAC name of 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol (CID 12021667) is 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol.
What is the SMILES notation for 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol?
The canonical SMILES for 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol is COC1=C(C)CC(O)(c2ccccc2)c2cccc(OC)c21.
What is the InChIKey of 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol?
The InChIKey is FBXGAFYIJIGXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-12-19(20,14-8-5-4-6-9-14)15-10-7-11-16(21-2)17(15)18(13)22-3/h4-11,20H,12H2,1-3H3.
What are the key properties of 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol?
4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol has a molecular weight of 296.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol is sourced from PubChem (CID 12021667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).