(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol

C16H17ClO2 — CID 106438840

IUPAC(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
SMILESC/C(=C\Cl)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H17ClO2/c1-11(9-17)10-19-16-14(12(2)18)8-7-13-5-3-4-6-15(13)16/h3-9,12,18H,10H2,1-2H3/b11-9+/t12-/m1/s1
InChIKeyKFIDLUGIXCUTAM-LMMOQWNQSA-N
MW276.76 g/mol
LogP4.41
Rot. Bonds4

About (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol

(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol (PubChem CID 106438840) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
PubChem CID106438840
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
SMILESC/C(=C\Cl)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H17ClO2/c1-11(9-17)10-19-16-14(12(2)18)8-7-13-5-3-4-6-15(13)16/h3-9,12,18H,10H2,1-2H3/b11-9+/t12-/m1/s1
InChIKeyKFIDLUGIXCUTAM-LMMOQWNQSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
(1S)-1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylphenyl]ethanol
CID 106438849
(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
CID 107007499
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol (CID 106438840) is (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol is C/C(=C\Cl)COc1c([C@@H](C)O)ccc2ccccc12.
What is the InChIKey of (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol?
The InChIKey is KFIDLUGIXCUTAM-LMMOQWNQSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11(9-17)10-19-16-14(12(2)18)8-7-13-5-3-4-6-15(13)16/h3-9,12,18H,10H2,1-2H3/b11-9+/t12-/m1/s1.
What are the key properties of (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol?
(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol is sourced from PubChem (CID 106438840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).