(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one

C17H18O2 — CID 101202152

IUPAC(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15,17,19H,3-4,9,11H2/t15-,17+/m1/s1
InChIKeyTURQJCKHOXVDDK-WBVHZDCISA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds2

About (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one

(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one (PubChem CID 101202152) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
PubChem CID101202152
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15,17,19H,3-4,9,11H2/t15-,17+/m1/s1
InChIKeyTURQJCKHOXVDDK-WBVHZDCISA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one (CID 101202152) is (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one?
The InChIKey is TURQJCKHOXVDDK-WBVHZDCISA-N. The full InChI is InChI=1S/C17H18O2/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15,17,19H,3-4,9,11H2/t15-,17+/m1/s1.
What are the key properties of (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one?
(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 101202152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).