(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one

C18H20O3 — CID 23660344

IUPAC(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one
SMILESCc1ccc2ccccc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C18H20O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h2-7,14-15,19H,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyNAXRIKAGUFKOEC-HUUCEWRRSA-N
MW284.36 g/mol
LogP3.15
Rot. Bonds3

About (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one

(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one (PubChem CID 23660344) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one
PubChem CID23660344
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one
SMILESCc1ccc2ccccc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C18H20O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h2-7,14-15,19H,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyNAXRIKAGUFKOEC-HUUCEWRRSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one?
The IUPAC name of (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one (CID 23660344) is (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one.
What is the SMILES notation for (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one?
The canonical SMILES for (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one is Cc1ccc2ccccc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one?
The InChIKey is NAXRIKAGUFKOEC-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h2-7,14-15,19H,8-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one?
(4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-hydroxy-6-[2-(2-methylnaphthalen-1-yl)ethyl]oxan-2-one is sourced from PubChem (CID 23660344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).