6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

C25H26O2 — CID 141185666

IUPAC6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESc1ccc(CCC2Cc3ccc(CCCOc4ccccc4)cc3O2)cc1
InChIInChI=1S/C25H26O2/c1-3-8-20(9-4-1)14-16-24-19-22-15-13-21(18-25(22)27-24)10-7-17-26-23-11-5-2-6-12-23/h1-6,8-9,11-13,15,18,24H,7,10,14,16-17,19H2
InChIKeyMSJYANOGSBFPMX-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.63
Rot. Bonds8

About 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 141185666) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
PubChem CID141185666
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESc1ccc(CCC2Cc3ccc(CCCOc4ccccc4)cc3O2)cc1
InChIInChI=1S/C25H26O2/c1-3-8-20(9-4-1)14-16-24-19-22-15-13-21(18-25(22)27-24)10-7-17-26-23-11-5-2-6-12-23/h1-6,8-9,11-13,15,18,24H,7,10,14,16-17,19H2
InChIKeyMSJYANOGSBFPMX-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol
CID 58571261
benzyl 2-[[6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]acetate
CID 19908810
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
CID 122677486
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
(2R)-2-(2-phenylethyl)-2,3-dihydropyran-4-one
CID 11171675
2-(3-phenoxypropyl)oxirane
CID 23468414
5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445648

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (CID 141185666) is 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is c1ccc(CCC2Cc3ccc(CCCOc4ccccc4)cc3O2)cc1.
What is the InChIKey of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is MSJYANOGSBFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-3-8-20(9-4-1)14-16-24-19-22-15-13-21(18-25(22)27-24)10-7-17-26-23-11-5-2-6-12-23/h1-6,8-9,11-13,15,18,24H,7,10,14,16-17,19H2.
What are the key properties of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 358.48 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141185666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).