prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate

C17H16O3 — CID 500306

IUPACprop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESC#CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H16O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h1,5-8,10-12H,9H2,2-3H3
InChIKeyRPLLXWJHCSDOLS-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.13
Rot. Bonds4

About prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate

prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 500306) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameprop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID500306
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameprop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESC#CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H16O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h1,5-8,10-12H,9H2,2-3H3
InChIKeyRPLLXWJHCSDOLS-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
(4-cyanophenyl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 84881337
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 500306) is prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate is C#CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is RPLLXWJHCSDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h1,5-8,10-12H,9H2,2-3H3.
What are the key properties of prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate?
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 500306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).