1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol

C13H16O2 — CID 117292711

IUPAC1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
SMILESCC1Cc2cccc(CC3(O)CC3)c2O1
InChIInChI=1S/C13H16O2/c1-9-7-10-3-2-4-11(12(10)15-9)8-13(14)5-6-13/h2-4,9,14H,5-8H2,1H3
InChIKeyNCBYOLFCHKDHFR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.08
Rot. Bonds2

About 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol

1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol (PubChem CID 117292711) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
PubChem CID117292711
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
SMILESCC1Cc2cccc(CC3(O)CC3)c2O1
InChIInChI=1S/C13H16O2/c1-9-7-10-3-2-4-11(12(10)15-9)8-13(14)5-6-13/h2-4,9,14H,5-8H2,1H3
InChIKeyNCBYOLFCHKDHFR-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
N-methoxy-1-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 82605146
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine
CID 15643774
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108323
1-(phthalazin-5-ylmethyl)cyclopropan-1-ol
CID 117289409
(3S)-3-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-1-amine
CID 67585232
(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol
CID 123336410

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol (CID 117292711) is 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol is CC1Cc2cccc(CC3(O)CC3)c2O1.
What is the InChIKey of 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The InChIKey is NCBYOLFCHKDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-7-10-3-2-4-11(12(10)15-9)8-13(14)5-6-13/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117292711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).