(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate

C21H19FO5 — CID 70443160

IUPAC(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate
SMILESCOc1cc2ccc(F)cc2c(OC(=O)COCc2ccccc2)c1OC
InChIInChI=1S/C21H19FO5/c1-24-18-10-15-8-9-16(22)11-17(15)20(21(18)25-2)27-19(23)13-26-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeySZCLDUPYLNUQNF-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.12
Rot. Bonds7

About (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate

(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate (PubChem CID 70443160) has the molecular formula C21H19FO5 and a molecular weight of 370.38 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate
PubChem CID70443160
Molecular FormulaC21H19FO5
Molecular Weight370.38 g/mol
Exact Mass370.12
IUPAC Name(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate
SMILESCOc1cc2ccc(F)cc2c(OC(=O)COCc2ccccc2)c1OC
InChIInChI=1S/C21H19FO5/c1-24-18-10-15-8-9-16(22)11-17(15)20(21(18)25-2)27-19(23)13-26-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeySZCLDUPYLNUQNF-UHFFFAOYSA-N
XLogP4.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate
CID 70443963
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate?
The IUPAC name of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate (CID 70443160) is (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate.
What is the SMILES notation for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate?
The canonical SMILES for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate is COc1cc2ccc(F)cc2c(OC(=O)COCc2ccccc2)c1OC.
What is the InChIKey of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate?
The InChIKey is SZCLDUPYLNUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO5/c1-24-18-10-15-8-9-16(22)11-17(15)20(21(18)25-2)27-19(23)13-26-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate?
(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate has a molecular weight of 370.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-phenylmethoxyacetate is sourced from PubChem (CID 70443160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).