[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol

C16H18O2 — CID 71458452

IUPAC[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol
SMILESOC[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C16H18O2/c17-11-15-6-3-7-16(18-15)14-9-8-12-4-1-2-5-13(12)10-14/h1-2,4-5,8-10,15-17H,3,6-7,11H2/t15-,16+/m1/s1
InChIKeyROSNKONMNKJRBC-CVEARBPZSA-N
MW242.32 g/mol
LogP3.44
Rot. Bonds2

About [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol

[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol (PubChem CID 71458452) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol
PubChem CID71458452
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol
SMILESOC[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C16H18O2/c17-11-15-6-3-7-16(18-15)14-9-8-12-4-1-2-5-13(12)10-14/h1-2,4-5,8-10,15-17H,3,6-7,11H2/t15-,16+/m1/s1
InChIKeyROSNKONMNKJRBC-CVEARBPZSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol?
The IUPAC name of [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol (CID 71458452) is [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol.
What is the SMILES notation for [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol?
The canonical SMILES for [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol is OC[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1.
What is the InChIKey of [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol?
The InChIKey is ROSNKONMNKJRBC-CVEARBPZSA-N. The full InChI is InChI=1S/C16H18O2/c17-11-15-6-3-7-16(18-15)14-9-8-12-4-1-2-5-13(12)10-14/h1-2,4-5,8-10,15-17H,3,6-7,11H2/t15-,16+/m1/s1.
What are the key properties of [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol?
[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol has a molecular weight of 242.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol is sourced from PubChem (CID 71458452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).