butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate

C18H22O3 — CID 10016853

IUPACbutan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC(C)OC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H22O3/c1-5-12(2)21-18(19)13(3)14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-13H,5H2,1-4H3
InChIKeyFLAKSIKQQCWURS-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.29
Rot. Bonds5

About butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate

butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 10016853) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID10016853
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Namebutan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC(C)OC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H22O3/c1-5-12(2)21-18(19)13(3)14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-13H,5H2,1-4H3
InChIKeyFLAKSIKQQCWURS-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
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
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 10016853) is butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate is CCC(C)OC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is FLAKSIKQQCWURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-5-12(2)21-18(19)13(3)14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-13H,5H2,1-4H3.
What are the key properties of butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 286.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 10016853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).