1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone

C21H18O4 — CID 118713597

IUPAC1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone
SMILESCOc1ccc(C2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O4/c1-12(22)19-17-11-18(13-7-9-14(24-2)10-8-13)25-21(17)16-6-4-3-5-15(16)20(19)23/h3-10,18,23H,11H2,1-2H3
InChIKeySKNFCMQDFDGGIB-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.43
Rot. Bonds3

About 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone

1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone (PubChem CID 118713597) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone
PubChem CID118713597
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone
SMILESCOc1ccc(C2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O4/c1-12(22)19-17-11-18(13-7-9-14(24-2)10-8-13)25-21(17)16-6-4-3-5-15(16)20(19)23/h3-10,18,23H,11H2,1-2H3
InChIKeySKNFCMQDFDGGIB-UHFFFAOYSA-N
XLogP4.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone?
The IUPAC name of 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone (CID 118713597) is 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone?
The canonical SMILES for 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone is COc1ccc(C2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1.
What is the InChIKey of 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone?
The InChIKey is SKNFCMQDFDGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-12(22)19-17-11-18(13-7-9-14(24-2)10-8-13)25-21(17)16-6-4-3-5-15(16)20(19)23/h3-10,18,23H,11H2,1-2H3.
What are the key properties of 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone?
1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone has a molecular weight of 334.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[g][1]benzofuran-4-yl]ethanone is sourced from PubChem (CID 118713597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).