4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C16H18O4 — CID 116809816

IUPAC4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCOc1cccc(OC)c1C1(O)CCCc2occc21
InChIInChI=1S/C16H18O4/c1-18-13-5-3-6-14(19-2)15(13)16(17)9-4-7-12-11(16)8-10-20-12/h3,5-6,8,10,17H,4,7,9H2,1-2H3
InChIKeyMFKZFKPCXXNRAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.87
Rot. Bonds3

About 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 116809816) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID116809816
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCOc1cccc(OC)c1C1(O)CCCc2occc21
InChIInChI=1S/C16H18O4/c1-18-13-5-3-6-14(19-2)15(13)16(17)9-4-7-12-11(16)8-10-20-12/h3,5-6,8,10,17H,4,7,9H2,1-2H3
InChIKeyMFKZFKPCXXNRAN-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-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467084
4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467073
4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 105393986
4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467071
N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 134161806
4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467108
[4-(dimethylamino)-6,7-dihydro-5H-1-benzofuran-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 67801430
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185
1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one
CID 83832861
4-(3-ethylsulfonylpropyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315337
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]cyclopentanecarboxamide
CID 134160415

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 116809816) is 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is COc1cccc(OC)c1C1(O)CCCc2occc21.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is MFKZFKPCXXNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-13-5-3-6-14(19-2)15(13)16(17)9-4-7-12-11(16)8-10-20-12/h3,5-6,8,10,17H,4,7,9H2,1-2H3.
What are the key properties of 4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2,6-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-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 116809816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).