[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate

C18H22O3 — CID 141195522

IUPAC[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
SMILESCOc1ccc2cc([C@H](C)COC(=O)C(C)C)ccc2c1
InChIInChI=1S/C18H22O3/c1-12(2)18(19)21-11-13(3)14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3/t13-/m1/s1
InChIKeyBLLIAYWYKJZOOL-CYBMUJFWSA-N
MW286.37 g/mol
LogP4.15
Rot. Bonds5

About [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate

[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate (PubChem CID 141195522) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
PubChem CID141195522
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
SMILESCOc1ccc2cc([C@H](C)COC(=O)C(C)C)ccc2c1
InChIInChI=1S/C18H22O3/c1-12(2)18(19)21-11-13(3)14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3/t13-/m1/s1
InChIKeyBLLIAYWYKJZOOL-CYBMUJFWSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxynaphthalen-2-yl)propyl octadecanoate
CID 13021179
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
CID 121344916
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate?
The IUPAC name of [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate (CID 141195522) is [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate.
What is the SMILES notation for [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate?
The canonical SMILES for [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate is COc1ccc2cc([C@H](C)COC(=O)C(C)C)ccc2c1.
What is the InChIKey of [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate?
The InChIKey is BLLIAYWYKJZOOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22O3/c1-12(2)18(19)21-11-13(3)14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3/t13-/m1/s1.
What are the key properties of [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate?
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate has a molecular weight of 286.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate is sourced from PubChem (CID 141195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).