4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

C15H16O2 — CID 11846776

IUPAC4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccccc3)cc21
InChIInChI=1S/C15H16O2/c1-16-13-8-5-9-14-12(13)10-15(17-14)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyZDNJMGFYCKHPBA-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.97
Rot. Bonds2

About 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 11846776) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID11846776
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccccc3)cc21
InChIInChI=1S/C15H16O2/c1-16-13-8-5-9-14-12(13)10-15(17-14)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyZDNJMGFYCKHPBA-UHFFFAOYSA-N
XLogP3.97
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ipriflavone
CID 3747
Visnagin
CID 6716
Pongamol
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Licocoumarone
CID 503731
Gancaonin I
CID 480777
Anhydrovariabilin
CID 624785
Lupinisoflavone A
CID 5319901
Licofuranone
CID 15060135
2-Phenyl-7-(propan-2-yloxy)-4h-chromen-4-one
CID 3745
2-benzylidene-4,6-dimethoxy-1-benzofuran-3(2H)-one
CID 642387
Methyl 2-(4-methoxyphenyl)benzofuran-3-carboxylate
CID 24818787
7-Methyl-4-(4-phenoxybutoxy)-5H-furo[3,2-g][1]benzopyran-5-one
CID 42631362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (CID 11846776) is 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is COC1CCCc2oc(-c3ccccc3)cc21.
What is the InChIKey of 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is ZDNJMGFYCKHPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-16-13-8-5-9-14-12(13)10-15(17-14)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3.
What are the key properties of 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 228.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 11846776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).