(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol

C17H22O2 — CID 63365584

IUPAC(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
SMILESCCC(C)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C17H22O2/c1-4-12(2)11-19-17-15(13(3)18)10-9-14-7-5-6-8-16(14)17/h5-10,12-13,18H,4,11H2,1-3H3/t12?,13-/m1/s1
InChIKeyALKCFZGIZCPFLA-ZGTCLIOFSA-N
MW258.36 g/mol
LogP4.32
Rot. Bonds5

About (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol

(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol (PubChem CID 63365584) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
PubChem CID63365584
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
SMILESCCC(C)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C17H22O2/c1-4-12(2)11-19-17-15(13(3)18)10-9-14-7-5-6-8-16(14)17/h5-10,12-13,18H,4,11H2,1-3H3/t12?,13-/m1/s1
InChIKeyALKCFZGIZCPFLA-ZGTCLIOFSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
CID 63365420
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
CID 106438840
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol (CID 63365584) is (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol is CCC(C)COc1c([C@@H](C)O)ccc2ccccc12.
What is the InChIKey of (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol?
The InChIKey is ALKCFZGIZCPFLA-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-12(2)11-19-17-15(13(3)18)10-9-14-7-5-6-8-16(14)17/h5-10,12-13,18H,4,11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol?
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol has a molecular weight of 258.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol is sourced from PubChem (CID 63365584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).