5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol

C12H15FO2 — CID 105464045

IUPAC5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOCC1(O)CCCc2c(F)cccc21
InChIInChI=1S/C12H15FO2/c1-15-8-12(14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,14H,3-4,7-8H2,1H3
InChIKeyZQQSDENHTROVFV-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.00
Rot. Bonds2

About 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol

5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 105464045) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID105464045
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOCC1(O)CCCc2c(F)cccc21
InChIInChI=1S/C12H15FO2/c1-15-8-12(14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,14H,3-4,7-8H2,1H3
InChIKeyZQQSDENHTROVFV-UHFFFAOYSA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
CID 83069804
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
CID 114795365
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809294
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
CID 83069835
1-(methoxymethyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105459157
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057965
4-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 83069026
ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069176

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 105464045) is 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol is COCC1(O)CCCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is ZQQSDENHTROVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-15-8-12(14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,14H,3-4,7-8H2,1H3.
What are the key properties of 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 105464045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).