(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

C10H11ClO3 — CID 82759401

IUPAC(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESC[C@H](O)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyGYTUUBCIPOCQDC-LURJTMIESA-N
MW214.65 g/mol
LogP2.16
Rot. Bonds1

About (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 82759401) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID82759401
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESC[C@H](O)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyGYTUUBCIPOCQDC-LURJTMIESA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
N-[(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 7471799
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83922241
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylpentan-1-ol
CID 114875916
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318
ethyl 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117434344

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (CID 82759401) is (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is C[C@H](O)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is GYTUUBCIPOCQDC-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,12H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 214.65 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 82759401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).