1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol

C13H14O2 — CID 117290840

IUPAC1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol
SMILESCc1oc2cc(C3(O)CC3)ccc2c1C
InChIInChI=1S/C13H14O2/c1-8-9(2)15-12-7-10(3-4-11(8)12)13(14)5-6-13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyMSOXGBGVKMFNEG-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.03
Rot. Bonds1

About 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol

1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol (PubChem CID 117290840) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol
PubChem CID117290840
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol
SMILESCc1oc2cc(C3(O)CC3)ccc2c1C
InChIInChI=1S/C13H14O2/c1-8-9(2)15-12-7-10(3-4-11(8)12)13(14)5-6-13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyMSOXGBGVKMFNEG-UHFFFAOYSA-N
XLogP3.03
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
CID 117308163
2,3,6,7-tetramethylfuro[2,3-f][1]benzofuran
CID 170670996
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol
CID 117292658
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol
CID 117284882
1-(3,4-dimethylphenyl)cyclobutan-1-ol
CID 79081030
1-(1,3-dimethylindol-5-yl)cyclopropan-1-ol
CID 117290218
1-[4-chloro-3-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117117417
1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol
CID 117287771

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol?
The IUPAC name of 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol (CID 117290840) is 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol is Cc1oc2cc(C3(O)CC3)ccc2c1C.
What is the InChIKey of 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol?
The InChIKey is MSOXGBGVKMFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8-9(2)15-12-7-10(3-4-11(8)12)13(14)5-6-13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol?
1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol has a molecular weight of 202.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol is sourced from PubChem (CID 117290840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).