(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C9H9ClO3 — CID 117289542

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOCc1ccc2c(c1Cl)OCCO2
InChIInChI=1S/C9H9ClO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,11H,3-5H2
InChIKeyDBAYJPIITGVHBO-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.60
Rot. Bonds1

About (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 117289542) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID117289542
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOCc1ccc2c(c1Cl)OCCO2
InChIInChI=1S/C9H9ClO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,11H,3-5H2
InChIKeyDBAYJPIITGVHBO-UHFFFAOYSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydroxylamine
CID 117307229
(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117303095
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117356326
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
6-chloro-7-(isocyanatomethyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 117351753
5-chloro-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117363634
7-(aminomethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84681333
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
1-[(4-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117324424
2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3300974
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117434969
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 117289542) is (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OCc1ccc2c(c1Cl)OCCO2.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is DBAYJPIITGVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,11H,3-5H2.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 200.62 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 117289542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).