1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol

C12H13ClO3 — CID 117354002

IUPAC1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C12H13ClO3/c13-10-3-8(5-12(14)1-2-12)11-9(4-10)6-15-7-16-11/h3-4,14H,1-2,5-7H2
InChIKeyMQTSESPDWCKXLH-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.27
Rot. Bonds2

About 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol

1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol (PubChem CID 117354002) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
PubChem CID117354002
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C12H13ClO3/c13-10-3-8(5-12(14)1-2-12)11-9(4-10)6-15-7-16-11/h3-4,14H,1-2,5-7H2
InChIKeyMQTSESPDWCKXLH-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylazepan-4-ol
CID 107408304
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol (CID 117354002) is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol is OC1(Cc2cc(Cl)cc3c2OCOC3)CC1.
What is the InChIKey of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol?
The InChIKey is MQTSESPDWCKXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c13-10-3-8(5-12(14)1-2-12)11-9(4-10)6-15-7-16-11/h3-4,14H,1-2,5-7H2.
What are the key properties of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol?
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol has a molecular weight of 240.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117354002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).