4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol

C14H18O2 — CID 71329862

IUPAC4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
SMILESCCC(=CCC1COc2ccccc21)CO
InChIInChI=1S/C14H18O2/c1-2-11(9-15)7-8-12-10-16-14-6-4-3-5-13(12)14/h3-7,12,15H,2,8-10H2,1H3
InChIKeyVCPQPTOGMGQKNF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol

4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol (PubChem CID 71329862) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
PubChem CID71329862
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
SMILESCCC(=CCC1COc2ccccc21)CO
InChIInChI=1S/C14H18O2/c1-2-11(9-15)7-8-12-10-16-14-6-4-3-5-13(12)14/h3-7,12,15H,2,8-10H2,1H3
InChIKeyVCPQPTOGMGQKNF-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
CID 79449029
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
CID 102225499
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol (CID 71329862) is 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol is CCC(=CCC1COc2ccccc21)CO.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol?
The InChIKey is VCPQPTOGMGQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-11(9-15)7-8-12-10-16-14-6-4-3-5-13(12)14/h3-7,12,15H,2,8-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol?
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol is sourced from PubChem (CID 71329862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).