3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran

C17H18O — CID 14195926

IUPAC3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
SMILESc1ccc(CCCC2COc3ccccc32)cc1
InChIInChI=1S/C17H18O/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-5,7-8,11-12,15H,6,9-10,13H2
InChIKeyUVVPTECRDHVPDF-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.19
Rot. Bonds4

About 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran

3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran (PubChem CID 14195926) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
PubChem CID14195926
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
SMILESc1ccc(CCCC2COc3ccccc32)cc1
InChIInChI=1S/C17H18O/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-5,7-8,11-12,15H,6,9-10,13H2
InChIKeyUVVPTECRDHVPDF-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
CID 79229342
2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
CID 79229827
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran (CID 14195926) is 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran is c1ccc(CCCC2COc3ccccc32)cc1.
What is the InChIKey of 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran?
The InChIKey is UVVPTECRDHVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-5,7-8,11-12,15H,6,9-10,13H2.
What are the key properties of 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran?
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran has a molecular weight of 238.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 14195926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).