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

C14H18O2 — CID 117311226

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
SMILESCC1(C)Cc2cccc(CC3(O)CC3)c2O1
InChIInChI=1S/C14H18O2/c1-13(2)8-10-4-3-5-11(12(10)16-13)9-14(15)6-7-14/h3-5,15H,6-9H2,1-2H3
InChIKeyMLXKCINCWIGNHO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds2

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

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol (PubChem CID 117311226) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
PubChem CID117311226
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
SMILESCC1(C)Cc2cccc(CC3(O)CC3)c2O1
InChIInChI=1S/C14H18O2/c1-13(2)8-10-4-3-5-11(12(10)16-13)9-14(15)6-7-14/h3-5,15H,6-9H2,1-2H3
InChIKeyMLXKCINCWIGNHO-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757
(3S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95720126
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56895548
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688509
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 64865805
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol (CID 117311226) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol is CC1(C)Cc2cccc(CC3(O)CC3)c2O1.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
The InChIKey is MLXKCINCWIGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)8-10-4-3-5-11(12(10)16-13)9-14(15)6-7-14/h3-5,15H,6-9H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117311226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).