(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol

C12H10F2O2 — CID 174473708

IUPAC(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol
SMILESCOc1c(F)c(F)c(CO)c2ccccc12
InChIInChI=1S/C12H10F2O2/c1-16-12-8-5-3-2-4-7(8)9(6-15)10(13)11(12)14/h2-5,15H,6H2,1H3
InChIKeyYJOQTUSCASUMME-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.62
Rot. Bonds2

About (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol

(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol (PubChem CID 174473708) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol
PubChem CID174473708
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol
SMILESCOc1c(F)c(F)c(CO)c2ccccc12
InChIInChI=1S/C12H10F2O2/c1-16-12-8-5-3-2-4-7(8)9(6-15)10(13)11(12)14/h2-5,15H,6H2,1H3
InChIKeyYJOQTUSCASUMME-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol (CID 174473708) is (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol is COc1c(F)c(F)c(CO)c2ccccc12.
What is the InChIKey of (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol?
The InChIKey is YJOQTUSCASUMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c1-16-12-8-5-3-2-4-7(8)9(6-15)10(13)11(12)14/h2-5,15H,6H2,1H3.
What are the key properties of (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol?
(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol has a molecular weight of 224.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 174473708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).