(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one

C18H22O — CID 139352321

IUPAC(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
SMILESCCCC(=O)[C@H](C)c1ccc2cc(CC)ccc2c1
InChIInChI=1S/C18H22O/c1-4-6-18(19)13(3)15-9-10-16-11-14(5-2)7-8-17(16)12-15/h7-13H,4-6H2,1-3H3/t13-/m1/s1
InChIKeyDFFNSNJSTIJZFY-CYBMUJFWSA-N
MW254.37 g/mol
LogP4.87
Rot. Bonds5

About (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one

(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one (PubChem CID 139352321) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one.

Molecular Properties

Compound Name(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
PubChem CID139352321
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
SMILESCCCC(=O)[C@H](C)c1ccc2cc(CC)ccc2c1
InChIInChI=1S/C18H22O/c1-4-6-18(19)13(3)15-9-10-16-11-14(5-2)7-8-17(16)12-15/h7-13H,4-6H2,1-3H3/t13-/m1/s1
InChIKeyDFFNSNJSTIJZFY-CYBMUJFWSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
CID 155282634
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
carbon monoxide;ethanol;2-ethyl-6-methylnaphthalene;ethyl 2-(6-methylnaphthalen-2-yl)propanoate;2-(6-methylnaphthalen-2-yl)propanoic acid
CID 159779933
3-(4-ethylphenyl)heptan-4-one
CID 83047463
2-[4-(dimethylamino)phenyl]hexan-3-one
CID 83048645
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride
CID 143282604
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-(4-methoxyphenyl)octan-3-one
CID 71426807
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one?
The IUPAC name of (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one (CID 139352321) is (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one.
What is the SMILES notation for (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one?
The canonical SMILES for (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one is CCCC(=O)[C@H](C)c1ccc2cc(CC)ccc2c1.
What is the InChIKey of (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one?
The InChIKey is DFFNSNJSTIJZFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22O/c1-4-6-18(19)13(3)15-9-10-16-11-14(5-2)7-8-17(16)12-15/h7-13H,4-6H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one?
(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one has a molecular weight of 254.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one is sourced from PubChem (CID 139352321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).