[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate

C20H25FO4 — CID 176690484

IUPAC[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate
SMILESCCc1c(F)ccc2cc(OCOC)cc(OC(=O)C(C)(C)CC)c12
InChIInChI=1S/C20H25FO4/c1-6-15-16(21)9-8-13-10-14(24-12-23-5)11-17(18(13)15)25-19(22)20(3,4)7-2/h8-11H,6-7,12H2,1-5H3
InChIKeyUUEQWVOKCRKUOK-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.87
Rot. Bonds7

About [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate

[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate (PubChem CID 176690484) has the molecular formula C20H25FO4 and a molecular weight of 348.41 g/mol. Its IUPAC name is [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate
PubChem CID176690484
Molecular FormulaC20H25FO4
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate
SMILESCCc1c(F)ccc2cc(OCOC)cc(OC(=O)C(C)(C)CC)c12
InChIInChI=1S/C20H25FO4/c1-6-15-16(21)9-8-13-10-14(24-12-23-5)11-17(18(13)15)25-19(22)20(3,4)7-2/h8-11H,6-7,12H2,1-5H3
InChIKeyUUEQWVOKCRKUOK-UHFFFAOYSA-N
XLogP4.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,8,9-Triacetoxyanthracene
CID 27751
1-Naphthalenol, 2,3-diethyl-4,7-dimethoxy-, acetate
CID 183634
4-[3-(3-Fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540240
4-[3-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5,7-dimethoxychromen-2-one
CID 6540242
(5-Methoxy-2-oxobenzo[h]chromen-8-yl)methyl 3-methylbutanoate
CID 101914288
(5-acetyloxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-10-yl) acetate
CID 24178895
Vismiaguianin A
CID 5324262
1-Naphthalenol, 2-butyl-4,7-dimethoxy-, acetate
CID 183626
6-Methoxy-1,2-dihydro-benzo[f]chromen-3-one
CID 44322621
3-[(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoyl]-6-methylchromen-2-one
CID 122194333
5-Methoxy-8-methylbenzo[h]chromen-2-one
CID 101914287
(4-Acetyloxy-2,3-dimethoxy-5-methylnaphthalen-1-yl) acetate
CID 13608066

Frequently Asked Questions

What is the IUPAC name of [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate?
The IUPAC name of [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate (CID 176690484) is [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate is CCc1c(F)ccc2cc(OCOC)cc(OC(=O)C(C)(C)CC)c12.
What is the InChIKey of [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate?
The InChIKey is UUEQWVOKCRKUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO4/c1-6-15-16(21)9-8-13-10-14(24-12-23-5)11-17(18(13)15)25-19(22)20(3,4)7-2/h8-11H,6-7,12H2,1-5H3.
What are the key properties of [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate?
[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate has a molecular weight of 348.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 176690484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).