methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate

C20H26O5 — CID 70261477

IUPACmethane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
SMILESC.CCCC(=O)OC(C)OC(=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22O5.CH4/c1-4-5-18(20)23-13(2)24-19(21)11-14-6-7-16-12-17(22-3)9-8-15(16)10-14;/h6-10,12-13H,4-5,11H2,1-3H3;1H4
InChIKeyYEPJUTGZMAUGPL-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.26
Rot. Bonds7

About methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate

methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate (PubChem CID 70261477) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate.

Molecular Properties

Compound Namemethane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
PubChem CID70261477
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Namemethane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
SMILESC.CCCC(=O)OC(C)OC(=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22O5.CH4/c1-4-5-18(20)23-13(2)24-19(21)11-14-6-7-16-12-17(22-3)9-8-15(16)10-14;/h6-10,12-13H,4-5,11H2,1-3H3;1H4
InChIKeyYEPJUTGZMAUGPL-UHFFFAOYSA-N
XLogP4.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
(dioctylamino) 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 88782104
[cyano-(6-methoxynaphthalen-2-yl)methyl] butanoate
CID 70016122
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
dimethyl (2R)-2-[2-(4-methoxyphenyl)acetyl]oxybutanedioate
CID 100930042
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
CID 146481361
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
CID 118265067
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901

Frequently Asked Questions

What is the IUPAC name of methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate?
The IUPAC name of methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate (CID 70261477) is methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate.
What is the SMILES notation for methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate?
The canonical SMILES for methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate is C.CCCC(=O)OC(C)OC(=O)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate?
The InChIKey is YEPJUTGZMAUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5.CH4/c1-4-5-18(20)23-13(2)24-19(21)11-14-6-7-16-12-17(22-3)9-8-15(16)10-14;/h6-10,12-13H,4-5,11H2,1-3H3;1H4.
What are the key properties of methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate?
methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate has a molecular weight of 346.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate is sourced from PubChem (CID 70261477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).