naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C24H20O3 — CID 97104194

IUPACnaphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)Oc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C24H20O3/c1-16(18-10-11-20-15-21(26-2)13-12-19(20)14-18)24(25)27-23-9-5-7-17-6-3-4-8-22(17)23/h3-16H,1-2H3/t16-/m0/s1
InChIKeyHTWGOHKVRDWVEN-INIZCTEOSA-N
MW356.42 g/mol
LogP5.71
Rot. Bonds4

About naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 97104194) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namenaphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID97104194
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Namenaphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)Oc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C24H20O3/c1-16(18-10-11-20-15-21(26-2)13-12-19(20)14-18)24(25)27-23-9-5-7-17-6-3-4-8-22(17)23/h3-16H,1-2H3/t16-/m0/s1
InChIKeyHTWGOHKVRDWVEN-INIZCTEOSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104193
[2-(2-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952080
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
(5-fluoro-2-nitrophenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
CID 72685770
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 97104194) is naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)Oc3cccc4ccccc34)ccc2c1.
What is the InChIKey of naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is HTWGOHKVRDWVEN-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20O3/c1-16(18-10-11-20-15-21(26-2)13-12-19(20)14-18)24(25)27-23-9-5-7-17-6-3-4-8-22(17)23/h3-16H,1-2H3/t16-/m0/s1.
What are the key properties of naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 356.42 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 97104194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).