[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol

C16H22O2 — CID 101059432

IUPAC[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol
SMILESCOC1=Cc2ccccc2[C@@H](C(C)C)[C@@]1(C)CO
InChIInChI=1S/C16H22O2/c1-11(2)15-13-8-6-5-7-12(13)9-14(18-4)16(15,3)10-17/h5-9,11,15,17H,10H2,1-4H3/t15-,16+/m1/s1
InChIKeyCZDSOQHEXBHDFP-CVEARBPZSA-N
MW246.35 g/mol
LogP3.43
Rot. Bonds3

About [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol

[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol (PubChem CID 101059432) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol
PubChem CID101059432
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol
SMILESCOC1=Cc2ccccc2[C@@H](C(C)C)[C@@]1(C)CO
InChIInChI=1S/C16H22O2/c1-11(2)15-13-8-6-5-7-12(13)9-14(18-4)16(15,3)10-17/h5-9,11,15,17H,10H2,1-4H3/t15-,16+/m1/s1
InChIKeyCZDSOQHEXBHDFP-CVEARBPZSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol?
The IUPAC name of [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol (CID 101059432) is [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol is COC1=Cc2ccccc2[C@@H](C(C)C)[C@@]1(C)CO.
What is the InChIKey of [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol?
The InChIKey is CZDSOQHEXBHDFP-CVEARBPZSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)15-13-8-6-5-7-12(13)9-14(18-4)16(15,3)10-17/h5-9,11,15,17H,10H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol?
[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 101059432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).