methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate

C22H18O4 — CID 151303303

IUPACmethyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccccc1OCC=Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18O4/c1-25-22(24)21(23)19-10-4-5-11-20(19)26-14-6-7-16-12-13-17-8-2-3-9-18(17)15-16/h2-13,15H,14H2,1H3
InChIKeyOCWFZLOFQDLIMD-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.29
Rot. Bonds6

About methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate

methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate (PubChem CID 151303303) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate
PubChem CID151303303
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Namemethyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccccc1OCC=Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18O4/c1-25-22(24)21(23)19-10-4-5-11-20(19)26-14-6-7-16-12-13-17-8-2-3-9-18(17)15-16/h2-13,15H,14H2,1H3
InChIKeyOCWFZLOFQDLIMD-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
dimethyl 2-[(E)-5-naphthalen-2-ylpent-4-enyl]propanedioate
CID 135072454
methyl 2-(4-methoxybut-2-enoxy)benzoate
CID 54063780
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
methyl 3-(4-chlorobut-2-enoxy)naphthalene-2-carboxylate
CID 77051609
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11771496
1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 68550038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate (CID 151303303) is methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate is COC(=O)C(=O)c1ccccc1OCC=Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate?
The InChIKey is OCWFZLOFQDLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-22(24)21(23)19-10-4-5-11-20(19)26-14-6-7-16-12-13-17-8-2-3-9-18(17)15-16/h2-13,15H,14H2,1H3.
What are the key properties of methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate?
methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate has a molecular weight of 346.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-naphthalen-2-ylprop-2-enoxy)phenyl]-2-oxoacetate is sourced from PubChem (CID 151303303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).