methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate

C18H24O4 — CID 155336471

IUPACmethyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate
SMILESCOC(=O)CCCC1(CC(=O)OC)CCCc2ccccc21
InChIInChI=1S/C18H24O4/c1-21-16(19)10-6-12-18(13-17(20)22-2)11-5-8-14-7-3-4-9-15(14)18/h3-4,7,9H,5-6,8,10-13H2,1-2H3
InChIKeyPSCASIXCIPIZTJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.17
Rot. Bonds6

About methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate

methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate (PubChem CID 155336471) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate
PubChem CID155336471
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namemethyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate
SMILESCOC(=O)CCCC1(CC(=O)OC)CCCc2ccccc21
InChIInChI=1S/C18H24O4/c1-21-16(19)10-6-12-18(13-17(20)22-2)11-5-8-14-7-3-4-9-15(14)18/h3-4,7,9H,5-6,8,10-13H2,1-2H3
InChIKeyPSCASIXCIPIZTJ-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate with MolForge

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Related Compounds

methyl 4-[1-(2-methoxy-2-oxoethyl)-5-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl]butanoate
CID 167092738
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
methyl 2-[5-methyl-1-(4-oxobutyl)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 167093111
methyl 2-[1-(4-oxobutyl)-2,3-dihydrophenalen-1-yl]acetate
CID 172767393
4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
CID 103415407
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate?
The IUPAC name of methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate (CID 155336471) is methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate.
What is the SMILES notation for methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate?
The canonical SMILES for methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate is COC(=O)CCCC1(CC(=O)OC)CCCc2ccccc21.
What is the InChIKey of methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate?
The InChIKey is PSCASIXCIPIZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-21-16(19)10-6-12-18(13-17(20)22-2)11-5-8-14-7-3-4-9-15(14)18/h3-4,7,9H,5-6,8,10-13H2,1-2H3.
What are the key properties of methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate?
methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate has a molecular weight of 304.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate is sourced from PubChem (CID 155336471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).