naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol

C18H22O2 — CID 65157994

IUPACnaphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc3ccccc23)C1C
InChIInChI=1S/C18H22O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-13,17-19H,1-3H3
InChIKeyNLOFOUKBOOOBQX-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.93
Rot. Bonds2

About naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol

naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 65157994) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Namenaphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID65157994
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Namenaphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc3ccccc23)C1C
InChIInChI=1S/C18H22O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-13,17-19H,1-3H3
InChIKeyNLOFOUKBOOOBQX-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 103139647
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 81431016
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160020
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol (CID 65157994) is naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cccc3ccccc23)C1C.
What is the InChIKey of naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is NLOFOUKBOOOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-13,17-19H,1-3H3.
What are the key properties of naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 270.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 65157994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).