6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol

C17H14O3 — CID 63096784

IUPAC6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCC#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14O3/c18-16-12-20-17-11-14(8-9-15(16)17)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18H,10,12H2
InChIKeyTZYFZPWBVBDLMW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds2

About 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol

6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 63096784) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
PubChem CID63096784
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCC#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14O3/c18-16-12-20-17-11-14(8-9-15(16)17)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18H,10,12H2
InChIKeyTZYFZPWBVBDLMW-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684843
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
2-[1-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]cyclopropyl]acetonitrile
CID 65498641
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol (CID 63096784) is 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCC#Cc3ccccc3)ccc21.
What is the InChIKey of 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is TZYFZPWBVBDLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-12-20-17-11-14(8-9-15(16)17)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18H,10,12H2.
What are the key properties of 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol?
6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 266.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 63096784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).