2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol

C15H22O2 — CID 79220406

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1COc2ccccc21
InChIInChI=1S/C15H22O2/c1-3-15(4-2,11-16)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyTXEVGFWAPUOTAN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol (PubChem CID 79220406) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
PubChem CID79220406
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1COc2ccccc21
InChIInChI=1S/C15H22O2/c1-3-15(4-2,11-16)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyTXEVGFWAPUOTAN-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
CID 106507820
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
3-[2-(chloromethyl)-2-phenylbutyl]-2,3-dihydro-1-benzofuran
CID 79220256
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol (CID 79220406) is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol is CCC(CC)(CO)CC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol?
The InChIKey is TXEVGFWAPUOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-15(4-2,11-16)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol?
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 79220406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).