5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene

C12H13FO — CID 139492202

IUPAC5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1F)C(C)=CCC2
InChIInChI=1S/C12H13FO/c1-8-4-3-5-9-6-7-10(14-2)12(13)11(8)9/h4,6-7H,3,5H2,1-2H3
InChIKeyTZSDFMRMFQDVPJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.18
Rot. Bonds1

About 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene

5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene (PubChem CID 139492202) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene
PubChem CID139492202
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1F)C(C)=CCC2
InChIInChI=1S/C12H13FO/c1-8-4-3-5-9-6-7-10(14-2)12(13)11(8)9/h4,6-7H,3,5H2,1-2H3
InChIKeyTZSDFMRMFQDVPJ-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene?
The IUPAC name of 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene (CID 139492202) is 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene is COc1ccc2c(c1F)C(C)=CCC2.
What is the InChIKey of 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene?
The InChIKey is TZSDFMRMFQDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8-4-3-5-9-6-7-10(14-2)12(13)11(8)9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene?
5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene has a molecular weight of 192.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-4-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139492202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).