1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol

C13H15ClO3 — CID 117389985

IUPAC1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCC(C)c1c2c(cc(Cl)c1C1(O)CC1)OCO2
InChIInChI=1S/C13H15ClO3/c1-7(2)10-11(13(15)3-4-13)8(14)5-9-12(10)17-6-16-9/h5,7,15H,3-4,6H2,1-2H3
InChIKeyMJJGCVUJOFVJRB-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.17
Rot. Bonds2

About 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol

1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol (PubChem CID 117389985) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
PubChem CID117389985
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCC(C)c1c2c(cc(Cl)c1C1(O)CC1)OCO2
InChIInChI=1S/C13H15ClO3/c1-7(2)10-11(13(15)3-4-13)8(14)5-9-12(10)17-6-16-9/h5,7,15H,3-4,6H2,1-2H3
InChIKeyMJJGCVUJOFVJRB-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117389986
6-chloro-4-propan-2-yl-1,3-benzodioxole-5-carbonitrile
CID 117320980
(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117495919
1-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117495550
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117303319
[1-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclobutyl]methanamine
CID 117494450
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117321549
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
1-[(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117452712
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117395016
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol (CID 117389985) is 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol is CC(C)c1c2c(cc(Cl)c1C1(O)CC1)OCO2.
What is the InChIKey of 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The InChIKey is MJJGCVUJOFVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-7(2)10-11(13(15)3-4-13)8(14)5-9-12(10)17-6-16-9/h5,7,15H,3-4,6H2,1-2H3.
What are the key properties of 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol has a molecular weight of 254.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117389985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).