ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate

C18H20O4 — CID 66687162

IUPACethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
SMILESCCOC(=O)CC(=O)CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H20O4/c1-3-22-18(20)12-16(19)8-5-13-4-6-15-11-17(21-2)9-7-14(15)10-13/h4,6-7,9-11H,3,5,8,12H2,1-2H3
InChIKeyCVVDOIVMGZIDCP-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.30
Rot. Bonds7

About ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate

ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate (PubChem CID 66687162) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
PubChem CID66687162
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
SMILESCCOC(=O)CC(=O)CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H20O4/c1-3-22-18(20)12-16(19)8-5-13-4-6-15-11-17(21-2)9-7-14(15)10-13/h4,6-7,9-11H,3,5,8,12H2,1-2H3
InChIKeyCVVDOIVMGZIDCP-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
CID 156854026
4-(5-ethoxy-3,5-dioxopentyl)benzoic acid
CID 102330010
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one
CID 141212870
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate
CID 46239422
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate?
The IUPAC name of ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate (CID 66687162) is ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate.
What is the SMILES notation for ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate?
The canonical SMILES for ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate is CCOC(=O)CC(=O)CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate?
The InChIKey is CVVDOIVMGZIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-22-18(20)12-16(19)8-5-13-4-6-15-11-17(21-2)9-7-14(15)10-13/h4,6-7,9-11H,3,5,8,12H2,1-2H3.
What are the key properties of ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate?
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate has a molecular weight of 300.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate is sourced from PubChem (CID 66687162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).