2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol

C13H16O2 — CID 114744695

IUPAC2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C13H16O2/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-4,12,14H,5-8H2,1H3
InChIKeyPNXNEMDRDVLTGB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.45
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol

2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol (PubChem CID 114744695) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
PubChem CID114744695
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C13H16O2/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-4,12,14H,5-8H2,1H3
InChIKeyPNXNEMDRDVLTGB-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl-(1-phenylcyclopropyl)methanol
CID 114744527
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2,3-dihydro-1-benzofuran-7-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114744802
1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451616
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol (CID 114744695) is 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol is CC1(C(O)c2cccc3c2OCC3)CC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol?
The InChIKey is PNXNEMDRDVLTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-4,12,14H,5-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol has a molecular weight of 204.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol is sourced from PubChem (CID 114744695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).