4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C16H18O4 — CID 115467084

IUPAC4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCCc3occc32)c1
InChIInChI=1S/C16H18O4/c1-18-12-8-11(9-13(10-12)19-2)16(17)6-3-4-15-14(16)5-7-20-15/h5,7-10,17H,3-4,6H2,1-2H3
InChIKeyQSKAIBMLJQCKNL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.87
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115467084) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115467084
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCCc3occc32)c1
InChIInChI=1S/C16H18O4/c1-18-12-8-11(9-13(10-12)19-2)16(17)6-3-4-15-14(16)5-7-20-15/h5,7-10,17H,3-4,6H2,1-2H3
InChIKeyQSKAIBMLJQCKNL-UHFFFAOYSA-N
XLogP2.87
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466952
4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467108
4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467071
4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 105393986
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467073
6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 22038174
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466987
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115467084) is 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is COc1cc(OC)cc(C2(O)CCCc3occc32)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is QSKAIBMLJQCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-12-8-11(9-13(10-12)19-2)16(17)6-3-4-15-14(16)5-7-20-15/h5,7-10,17H,3-4,6H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 274.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115467084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).