8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol

C12H10ClFO3 — CID 164534948

IUPAC8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(Cl)c(F)ccc2c1
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(14)12(13)11(7)10(15)5-8/h2-5,15H,6H2,1H3
InChIKeyUGHHJDLFBFWETD-UHFFFAOYSA-N
MW256.66 g/mol
LogP3.32
Rot. Bonds3

About 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol

8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol (PubChem CID 164534948) has the molecular formula C12H10ClFO3 and a molecular weight of 256.66 g/mol. Its IUPAC name is 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol.

Molecular Properties

Compound Name8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
PubChem CID164534948
Molecular FormulaC12H10ClFO3
Molecular Weight256.66 g/mol
Exact Mass256.03
IUPAC Name8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(Cl)c(F)ccc2c1
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(14)12(13)11(7)10(15)5-8/h2-5,15H,6H2,1H3
InChIKeyUGHHJDLFBFWETD-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The IUPAC name of 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol (CID 164534948) is 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol.
What is the SMILES notation for 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The canonical SMILES for 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol is COCOc1cc(O)c2c(Cl)c(F)ccc2c1.
What is the InChIKey of 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The InChIKey is UGHHJDLFBFWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(14)12(13)11(7)10(15)5-8/h2-5,15H,6H2,1H3.
What are the key properties of 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol has a molecular weight of 256.66 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol is sourced from PubChem (CID 164534948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).