5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol

C11H13ClO3 — CID 84692201

IUPAC5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCC(C)c1c(O)cc2c(c1Cl)OCCO2
InChIInChI=1S/C11H13ClO3/c1-6(2)9-7(13)5-8-11(10(9)12)15-4-3-14-8/h5-6,13H,3-4H2,1-2H3
InChIKeyYREADEMVPRERSR-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.94
Rot. Bonds1

About 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol

5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 84692201) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID84692201
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCC(C)c1c(O)cc2c(c1Cl)OCCO2
InChIInChI=1S/C11H13ClO3/c1-6(2)9-7(13)5-8-11(10(9)12)15-4-3-14-8/h5-6,13H,3-4H2,1-2H3
InChIKeyYREADEMVPRERSR-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117458635
6-chloro-5-(1-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117363752
1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropan-1-amine
CID 117422951
2-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117394998
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999
[1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutyl]methanamine
CID 117476581
3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117452508
7-chloro-5-(1-hydroxyethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84693988
4-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117473927
2-amino-2-(6-chloro-7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 117403201
[3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117494358
3-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117394943

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol (CID 84692201) is 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol is CC(C)c1c(O)cc2c(c1Cl)OCCO2.
What is the InChIKey of 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is YREADEMVPRERSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6(2)9-7(13)5-8-11(10(9)12)15-4-3-14-8/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 228.67 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 84692201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).