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

C14H15FO3 — CID 163222721

IUPAC8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCCc1c(F)ccc2cc(OCOC)cc(O)c12
InChIInChI=1S/C14H15FO3/c1-3-11-12(15)5-4-9-6-10(18-8-17-2)7-13(16)14(9)11/h4-7,16H,3,8H2,1-2H3
InChIKeyVEJWNCMNCMQKSW-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.23
Rot. Bonds4

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

8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol (PubChem CID 163222721) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol.

Molecular Properties

Compound Name8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
PubChem CID163222721
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCCc1c(F)ccc2cc(OCOC)cc(O)c12
InChIInChI=1S/C14H15FO3/c1-3-11-12(15)5-4-9-6-10(18-8-17-2)7-13(16)14(9)11/h4-7,16H,3,8H2,1-2H3
InChIKeyVEJWNCMNCMQKSW-UHFFFAOYSA-N
XLogP3.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.23
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-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The IUPAC name of 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol (CID 163222721) is 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol.
What is the SMILES notation for 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The canonical SMILES for 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol is CCc1c(F)ccc2cc(OCOC)cc(O)c12.
What is the InChIKey of 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The InChIKey is VEJWNCMNCMQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-3-11-12(15)5-4-9-6-10(18-8-17-2)7-13(16)14(9)11/h4-7,16H,3,8H2,1-2H3.
What are the key properties of 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol has a molecular weight of 250.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol is sourced from PubChem (CID 163222721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).