1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol

C14H18O2 — CID 107002520

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyQZIKLVLTDHVMHQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol

1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol (PubChem CID 107002520) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
PubChem CID107002520
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyQZIKLVLTDHVMHQ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088
1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63019202
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran
CID 66477542
(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107002531
7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 66395379
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
CID 65188279
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine
CID 105004766
6-[(2,2-dimethylcyclopropyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 107002512
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol (CID 107002520) is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol is CC1(C)CC1C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The InChIKey is QZIKLVLTDHVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 107002520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).