[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C19H24O3 — CID 18638382

IUPAC[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H24O3/c1-5-6-13(2)22-19(20)14(3)15-7-8-17-12-18(21-4)10-9-16(17)11-15/h7-14H,5-6H2,1-4H3/t13-,14-/m0/s1
InChIKeyIRPXUCRYFYEJFC-KBPBESRZSA-N
MW300.40 g/mol
LogP4.68
Rot. Bonds6

About [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 18638382) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID18638382
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H24O3/c1-5-6-13(2)22-19(20)14(3)15-7-8-17-12-18(21-4)10-9-16(17)11-15/h7-14H,5-6H2,1-4H3/t13-,14-/m0/s1
InChIKeyIRPXUCRYFYEJFC-KBPBESRZSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 141165174

Frequently Asked Questions

What is the IUPAC name of [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 18638382) is [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is CCC[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is IRPXUCRYFYEJFC-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24O3/c1-5-6-13(2)22-19(20)14(3)15-7-8-17-12-18(21-4)10-9-16(17)11-15/h7-14H,5-6H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 300.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 18638382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).