5-methoxy-3-(trifluoromethyl)naphthalen-1-ol

C12H9F3O2 — CID 90487582

IUPAC5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
SMILESCOc1cccc2c(O)cc(C(F)(F)F)cc12
InChIInChI=1S/C12H9F3O2/c1-17-11-4-2-3-8-9(11)5-7(6-10(8)16)12(13,14)15/h2-6,16H,1H3
InChIKeyNBRPNQFRRGERBW-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.57
Rot. Bonds1

About 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol

5-methoxy-3-(trifluoromethyl)naphthalen-1-ol (PubChem CID 90487582) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
PubChem CID90487582
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
SMILESCOc1cccc2c(O)cc(C(F)(F)F)cc12
InChIInChI=1S/C12H9F3O2/c1-17-11-4-2-3-8-9(11)5-7(6-10(8)16)12(13,14)15/h2-6,16H,1H3
InChIKeyNBRPNQFRRGERBW-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol (CID 90487582) is 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol is COc1cccc2c(O)cc(C(F)(F)F)cc12.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol?
The InChIKey is NBRPNQFRRGERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c1-17-11-4-2-3-8-9(11)5-7(6-10(8)16)12(13,14)15/h2-6,16H,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol?
5-methoxy-3-(trifluoromethyl)naphthalen-1-ol has a molecular weight of 242.20 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 90487582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).