methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate

C19H15ClO6 — CID 8732589

IUPACmethyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2ccc(Cl)c3ccccc23)o1
InChIInChI=1S/C19H15ClO6/c1-23-19(22)17-8-6-12(26-17)10-25-18(21)11-24-16-9-7-15(20)13-4-2-3-5-14(13)16/h2-9H,10-11H2,1H3
InChIKeyNQKSKQXMVMTTQO-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.99
Rot. Bonds6

About methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate (PubChem CID 8732589) has the molecular formula C19H15ClO6 and a molecular weight of 374.78 g/mol. Its IUPAC name is methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
PubChem CID8732589
Molecular FormulaC19H15ClO6
Molecular Weight374.78 g/mol
Exact Mass374.06
IUPAC Namemethyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2ccc(Cl)c3ccccc23)o1
InChIInChI=1S/C19H15ClO6/c1-23-19(22)17-8-6-12(26-17)10-25-18(21)11-24-16-9-7-15(20)13-4-2-3-5-14(13)16/h2-9H,10-11H2,1H3
InChIKeyNQKSKQXMVMTTQO-UHFFFAOYSA-N
XLogP3.99
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 7997628
methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 2601508
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2511826
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903992
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate (CID 8732589) is methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)COc2ccc(Cl)c3ccccc23)o1.
What is the InChIKey of methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is NQKSKQXMVMTTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO6/c1-23-19(22)17-8-6-12(26-17)10-25-18(21)11-24-16-9-7-15(20)13-4-2-3-5-14(13)16/h2-9H,10-11H2,1H3.
What are the key properties of methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 374.78 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 8732589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).