3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol

C12H16O2 — CID 131026060

IUPAC3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccc2c(c1)OCC2
InChIInChI=1S/C12H16O2/c1-9(8-13)6-10-2-3-11-4-5-14-12(11)7-10/h2-3,7,9,13H,4-6,8H2,1H3
InChIKeyCEIQUPVZCMRMLJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.79
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol

3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol (PubChem CID 131026060) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
PubChem CID131026060
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccc2c(c1)OCC2
InChIInChI=1S/C12H16O2/c1-9(8-13)6-10-2-3-11-4-5-14-12(11)7-10/h2-3,7,9,13H,4-6,8H2,1H3
InChIKeyCEIQUPVZCMRMLJ-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanoic acid
CID 82116705
6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 145466674
3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
CID 130744389

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol (CID 131026060) is 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol is CC(CO)Cc1ccc2c(c1)OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol?
The InChIKey is CEIQUPVZCMRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(8-13)6-10-2-3-11-4-5-14-12(11)7-10/h2-3,7,9,13H,4-6,8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol?
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 131026060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).