3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol

C19H20O4 — CID 170887613

IUPAC3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1ccc(C(O)c2cc3cc(CCCO)ccc3o2)cc1
InChIInChI=1S/C19H20O4/c1-22-16-7-5-14(6-8-16)19(21)18-12-15-11-13(3-2-10-20)4-9-17(15)23-18/h4-9,11-12,19-21H,2-3,10H2,1H3
InChIKeyNJTGXUPPPBZARI-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.45
Rot. Bonds6

About 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol

3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol (PubChem CID 170887613) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
PubChem CID170887613
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1ccc(C(O)c2cc3cc(CCCO)ccc3o2)cc1
InChIInChI=1S/C19H20O4/c1-22-16-7-5-14(6-8-16)19(21)18-12-15-11-13(3-2-10-20)4-9-17(15)23-18/h4-9,11-12,19-21H,2-3,10H2,1H3
InChIKeyNJTGXUPPPBZARI-UHFFFAOYSA-N
XLogP3.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol
CID 19925698
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
2-[5-(2-hydroxyethyl)-1-benzofuran-2-yl]-5-methoxyphenol
CID 141202465
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
CID 13385960
2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 58047217
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
CID 65438398
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424

Frequently Asked Questions

What is the IUPAC name of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol?
The IUPAC name of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol (CID 170887613) is 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol is COc1ccc(C(O)c2cc3cc(CCCO)ccc3o2)cc1.
What is the InChIKey of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol?
The InChIKey is NJTGXUPPPBZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-22-16-7-5-14(6-8-16)19(21)18-12-15-11-13(3-2-10-20)4-9-17(15)23-18/h4-9,11-12,19-21H,2-3,10H2,1H3.
What are the key properties of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol?
3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol has a molecular weight of 312.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol is sourced from PubChem (CID 170887613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).