naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate

C20H18O4 — CID 18837899

IUPACnaphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O4/c1-14(23-18-11-9-17(22-2)10-12-18)20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-14H,1-2H3
InChIKeyXRXLRPTWUMCVEG-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds5

About naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate

naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate (PubChem CID 18837899) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
PubChem CID18837899
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namenaphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O4/c1-14(23-18-11-9-17(22-2)10-12-18)20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-14H,1-2H3
InChIKeyXRXLRPTWUMCVEG-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

(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
naphthalen-2-yl 4-methoxybenzoate
CID 532400
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 46530364
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate (CID 18837899) is naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate?
The InChIKey is XRXLRPTWUMCVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-14(23-18-11-9-17(22-2)10-12-18)20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-14H,1-2H3.
What are the key properties of naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate?
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate 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 naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 18837899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).