1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol

C12H13ClO4 — CID 117395016

IUPAC1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
SMILESCOc1c(Cl)cc2c(c1C1(O)CC1)OCCO2
InChIInChI=1S/C12H13ClO4/c1-15-10-7(13)6-8-11(17-5-4-16-8)9(10)12(14)2-3-12/h6,14H,2-5H2,1H3
InChIKeyFVHBGPJJEIOQTC-UHFFFAOYSA-N
MW256.68 g/mol
LogP2.10
Rot. Bonds2

About 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol

1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol (PubChem CID 117395016) has the molecular formula C12H13ClO4 and a molecular weight of 256.68 g/mol. Its IUPAC name is 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
PubChem CID117395016
Molecular FormulaC12H13ClO4
Molecular Weight256.68 g/mol
Exact Mass256.05
IUPAC Name1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
SMILESCOc1c(Cl)cc2c(c1C1(O)CC1)OCCO2
InChIInChI=1S/C12H13ClO4/c1-15-10-7(13)6-8-11(17-5-4-16-8)9(10)12(14)2-3-12/h6,14H,2-5H2,1H3
InChIKeyFVHBGPJJEIOQTC-UHFFFAOYSA-N
XLogP2.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol with MolForge

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Related Compounds

1-[1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117456224
1-[(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117429804
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 84704627
1-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropan-1-ol
CID 117400328
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanol
CID 117400428
1-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117392155
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-2-amine
CID 117432295
3-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)butanal
CID 117429610
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol (CID 117395016) is 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol is COc1c(Cl)cc2c(c1C1(O)CC1)OCCO2.
What is the InChIKey of 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The InChIKey is FVHBGPJJEIOQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO4/c1-15-10-7(13)6-8-11(17-5-4-16-8)9(10)12(14)2-3-12/h6,14H,2-5H2,1H3.
What are the key properties of 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol has a molecular weight of 256.68 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117395016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).