1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

C12H15ClO3 — CID 117358648

IUPAC1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1c(CC(C)O)cc(Cl)c2c1OCCO2
InChIInChI=1S/C12H15ClO3/c1-7(14)5-9-6-10(13)12-11(8(9)2)15-3-4-16-12/h6-7,14H,3-5H2,1-2H3
InChIKeyWUCZTUXEISOHHG-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.34
Rot. Bonds2

About 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 117358648) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID117358648
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1c(CC(C)O)cc(Cl)c2c1OCCO2
InChIInChI=1S/C12H15ClO3/c1-7(14)5-9-6-10(13)12-11(8(9)2)15-3-4-16-12/h6-7,14H,3-5H2,1-2H3
InChIKeyWUCZTUXEISOHHG-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
3-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117389912
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679955
2-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117395297
2-amino-1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 84702824
O-[(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydroxylamine
CID 117397778
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
CID 84690833
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (CID 117358648) is 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is Cc1c(CC(C)O)cc(Cl)c2c1OCCO2.
What is the InChIKey of 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is WUCZTUXEISOHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7(14)5-9-6-10(13)12-11(8(9)2)15-3-4-16-12/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol has a molecular weight of 242.70 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 117358648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).