(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol

C23H24O3 — CID 158603374

IUPAC(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
SMILESCCC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24O3/c1-2-5-20(18-9-8-16-6-3-4-7-17(16)14-18)23(24)19-10-11-21-22(15-19)26-13-12-25-21/h3-4,6-11,14-15,20,23-24H,2,5,12-13H2,1H3/t20-,23-/m0/s1
InChIKeyHVXMXIVSORAYLX-REWPJTCUSA-N
MW348.44 g/mol
LogP5.23
Rot. Bonds5

About (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol

(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol (PubChem CID 158603374) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
PubChem CID158603374
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
SMILESCCC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24O3/c1-2-5-20(18-9-8-16-6-3-4-7-17(16)14-18)23(24)19-10-11-21-22(15-19)26-13-12-25-21/h3-4,6-11,14-15,20,23-24H,2,5,12-13H2,1H3/t20-,23-/m0/s1
InChIKeyHVXMXIVSORAYLX-REWPJTCUSA-N
XLogP5.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
CID 116711365
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,2-diol
CID 171893991
11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
CID 7780742
(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol
CID 162412283
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 97025846
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol?
The IUPAC name of (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol (CID 158603374) is (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol.
What is the SMILES notation for (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol?
The canonical SMILES for (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol is CCC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol?
The InChIKey is HVXMXIVSORAYLX-REWPJTCUSA-N. The full InChI is InChI=1S/C23H24O3/c1-2-5-20(18-9-8-16-6-3-4-7-17(16)14-18)23(24)19-10-11-21-22(15-19)26-13-12-25-21/h3-4,6-11,14-15,20,23-24H,2,5,12-13H2,1H3/t20-,23-/m0/s1.
What are the key properties of (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol?
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol has a molecular weight of 348.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol is sourced from PubChem (CID 158603374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).