(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate

C20H18O4 — CID 46820145

IUPAC(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
SMILESCOc1ccc2ccc(OC(=O)C(C)Oc3ccccc3)cc2c1
InChIInChI=1S/C20H18O4/c1-14(23-17-6-4-3-5-7-17)20(21)24-19-11-9-15-8-10-18(22-2)12-16(15)13-19/h3-14H,1-2H3
InChIKeyIOEJEYLVSSLDKT-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds5

About (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate

(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate (PubChem CID 46820145) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
PubChem CID46820145
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
SMILESCOc1ccc2ccc(OC(=O)C(C)Oc3ccccc3)cc2c1
InChIInChI=1S/C20H18O4/c1-14(23-17-6-4-3-5-7-17)20(21)24-19-11-9-15-8-10-18(22-2)12-16(15)13-19/h3-14H,1-2H3
InChIKeyIOEJEYLVSSLDKT-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949497
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
phenyl (2S)-2-methoxypropanoate
CID 12621314

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate (CID 46820145) is (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate is COc1ccc2ccc(OC(=O)C(C)Oc3ccccc3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate?
The InChIKey is IOEJEYLVSSLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-14(23-17-6-4-3-5-7-17)20(21)24-19-11-9-15-8-10-18(22-2)12-16(15)13-19/h3-14H,1-2H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate?
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate has a molecular weight of 322.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-phenoxypropanoate is sourced from PubChem (CID 46820145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).