[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol

C13H10BrF3O2 — CID 15614956

IUPAC[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol
SMILESCOc1ccc2c(CO)c(Br)ccc2c1C(F)(F)F
InChIInChI=1S/C13H10BrF3O2/c1-19-11-5-3-7-8(12(11)13(15,16)17)2-4-10(14)9(7)6-18/h2-5,18H,6H2,1H3
InChIKeyAGCYPXXCHXIDCG-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.12
Rot. Bonds2

About [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol

[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol (PubChem CID 15614956) has the molecular formula C13H10BrF3O2 and a molecular weight of 335.12 g/mol. Its IUPAC name is [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol
PubChem CID15614956
Molecular FormulaC13H10BrF3O2
Molecular Weight335.12 g/mol
Exact Mass333.98
IUPAC Name[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol
SMILESCOc1ccc2c(CO)c(Br)ccc2c1C(F)(F)F
InChIInChI=1S/C13H10BrF3O2/c1-19-11-5-3-7-8(12(11)13(15,16)17)2-4-10(14)9(7)6-18/h2-5,18H,6H2,1H3
InChIKeyAGCYPXXCHXIDCG-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol?
The IUPAC name of [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol (CID 15614956) is [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol.
What is the SMILES notation for [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol?
The canonical SMILES for [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol is COc1ccc2c(CO)c(Br)ccc2c1C(F)(F)F.
What is the InChIKey of [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol?
The InChIKey is AGCYPXXCHXIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2/c1-19-11-5-3-7-8(12(11)13(15,16)17)2-4-10(14)9(7)6-18/h2-5,18H,6H2,1H3.
What are the key properties of [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol?
[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol has a molecular weight of 335.12 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methanol is sourced from PubChem (CID 15614956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).