1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol

C12H10ClFO3 — CID 164521908

IUPAC1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol
SMILESCOCOc1cc(O)c(Cl)c2ccc(F)cc12
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-11-5-10(15)12(13)8-3-2-7(14)4-9(8)11/h2-5,15H,6H2,1H3
InChIKeyZPVARMRABGURGK-UHFFFAOYSA-N
MW256.66 g/mol
LogP3.32
Rot. Bonds3

About 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol

1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol (PubChem CID 164521908) has the molecular formula C12H10ClFO3 and a molecular weight of 256.66 g/mol. Its IUPAC name is 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol
PubChem CID164521908
Molecular FormulaC12H10ClFO3
Molecular Weight256.66 g/mol
Exact Mass256.03
IUPAC Name1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol
SMILESCOCOc1cc(O)c(Cl)c2ccc(F)cc12
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-11-5-10(15)12(13)8-3-2-7(14)4-9(8)11/h2-5,15H,6H2,1H3
InChIKeyZPVARMRABGURGK-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 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol (CID 164521908) is 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol is COCOc1cc(O)c(Cl)c2ccc(F)cc12.
What is the InChIKey of 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol?
The InChIKey is ZPVARMRABGURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO3/c1-16-6-17-11-5-10(15)12(13)8-3-2-7(14)4-9(8)11/h2-5,15H,6H2,1H3.
What are the key properties of 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol?
1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-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 1-chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol is sourced from PubChem (CID 164521908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).