6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol

C21H20O2 — CID 24818803

IUPAC6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol
SMILESCc1cccc(-c2oc3ccccc3c2C#CCCCCO)c1
InChIInChI=1S/C21H20O2/c1-16-9-8-10-17(15-16)21-19(12-4-2-3-7-14-22)18-11-5-6-13-20(18)23-21/h5-6,8-11,13,15,22H,2-3,7,14H2,1H3
InChIKeyDDWVAUPWJALSHS-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.92
Rot. Bonds4

About 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol

6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol (PubChem CID 24818803) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol
PubChem CID24818803
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol
SMILESCc1cccc(-c2oc3ccccc3c2C#CCCCCO)c1
InChIInChI=1S/C21H20O2/c1-16-9-8-10-17(15-16)21-19(12-4-2-3-7-14-22)18-11-5-6-13-20(18)23-21/h5-6,8-11,13,15,22H,2-3,7,14H2,1H3
InChIKeyDDWVAUPWJALSHS-UHFFFAOYSA-N
XLogP4.92
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dibenzofuran
CID 568
Benzarone
CID 255968
2,3-Dimethylbenzofuran
CID 2734646
Furaprofen
CID 37801
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
CID 96670
Furobufen
CID 38117
[2-(3-Dibenzofuran-4-YL-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
CID 16122553
Eupomatenoid 6
CID 6261723
Benzofurans
CID 253613
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol?
The IUPAC name of 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol (CID 24818803) is 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol.
What is the SMILES notation for 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol?
The canonical SMILES for 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol is Cc1cccc(-c2oc3ccccc3c2C#CCCCCO)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol?
The InChIKey is DDWVAUPWJALSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-16-9-8-10-17(15-16)21-19(12-4-2-3-7-14-22)18-11-5-6-13-20(18)23-21/h5-6,8-11,13,15,22H,2-3,7,14H2,1H3.
What are the key properties of 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol?
6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol has a molecular weight of 304.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)-1-benzofuran-3-yl]hex-5-yn-1-ol is sourced from PubChem (CID 24818803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).