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

C9H9ClO3 — CID 115062747

IUPAC(6-chloro-4H-1,3-benzodioxin-2-yl)methanol
SMILESOCC1OCc2cc(Cl)ccc2O1
InChIInChI=1S/C9H9ClO3/c10-7-1-2-8-6(3-7)5-12-9(4-11)13-8/h1-3,9,11H,4-5H2
InChIKeyYSNWPEDHHJNBEA-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.57
Rot. Bonds1

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

(6-chloro-4H-1,3-benzodioxin-2-yl)methanol (PubChem CID 115062747) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (6-chloro-4H-1,3-benzodioxin-2-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4H-1,3-benzodioxin-2-yl)methanol
PubChem CID115062747
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(6-chloro-4H-1,3-benzodioxin-2-yl)methanol
SMILESOCC1OCc2cc(Cl)ccc2O1
InChIInChI=1S/C9H9ClO3/c10-7-1-2-8-6(3-7)5-12-9(4-11)13-8/h1-3,9,11H,4-5H2
InChIKeyYSNWPEDHHJNBEA-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-4H-1,3-benzodioxin-2-yl)methanamine
CID 115062690
3-(6-chloro-4H-1,3-benzodioxin-2-yl)propanoic acid
CID 115062714
(5-chloro-1,3-benzodioxol-2-yl)methanol
CID 115062717
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43577374
(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339090
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
CID 142930046
(1R)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339091
2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
CID 69306515
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
4-[(7-chloro-1,5-dihydro-2,4-benzodioxepin-3-yl)methyl]piperidine
CID 115062623
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4H-1,3-benzodioxin-2-yl)methanol?
The IUPAC name of (6-chloro-4H-1,3-benzodioxin-2-yl)methanol (CID 115062747) is (6-chloro-4H-1,3-benzodioxin-2-yl)methanol.
What is the SMILES notation for (6-chloro-4H-1,3-benzodioxin-2-yl)methanol?
The canonical SMILES for (6-chloro-4H-1,3-benzodioxin-2-yl)methanol is OCC1OCc2cc(Cl)ccc2O1.
What is the InChIKey of (6-chloro-4H-1,3-benzodioxin-2-yl)methanol?
The InChIKey is YSNWPEDHHJNBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-7-1-2-8-6(3-7)5-12-9(4-11)13-8/h1-3,9,11H,4-5H2.
What are the key properties of (6-chloro-4H-1,3-benzodioxin-2-yl)methanol?
(6-chloro-4H-1,3-benzodioxin-2-yl)methanol has a molecular weight of 200.62 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4H-1,3-benzodioxin-2-yl)methanol is sourced from PubChem (CID 115062747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).