3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol

C14H16O2 — CID 79229773

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol
SMILESOC1C=C(CC2COc3ccccc32)CC1
InChIInChI=1S/C14H16O2/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8,11-12,15H,5-7,9H2
InChIKeyFFSKXUJXJQWZPH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.63
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol (PubChem CID 79229773) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol
PubChem CID79229773
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol
SMILESOC1C=C(CC2COc3ccccc32)CC1
InChIInChI=1S/C14H16O2/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8,11-12,15H,5-7,9H2
InChIKeyFFSKXUJXJQWZPH-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.63
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

3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
CID 79229291
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210018
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol (CID 79229773) is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol is OC1C=C(CC2COc3ccccc32)CC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol?
The InChIKey is FFSKXUJXJQWZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8,11-12,15H,5-7,9H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol?
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.63, 2 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-3-ylmethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 79229773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).