2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol

C17H18O4 — CID 61100594

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O4/c1-19-14-8-13(9-15(10-14)20-2)17(18)12-3-4-16-11(7-12)5-6-21-16/h3-4,7-10,17-18H,5-6H2,1-2H3
InChIKeyOQWDJIJAJVEMAF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.72
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol (PubChem CID 61100594) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
PubChem CID61100594
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O4/c1-19-14-8-13(9-15(10-14)20-2)17(18)12-3-4-16-11(7-12)5-6-21-16/h3-4,7-10,17-18H,5-6H2,1-2H3
InChIKeyOQWDJIJAJVEMAF-UHFFFAOYSA-N
XLogP2.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol (CID 61100594) is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The InChIKey is OQWDJIJAJVEMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-8-13(9-15(10-14)20-2)17(18)12-3-4-16-11(7-12)5-6-21-16/h3-4,7-10,17-18H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol has a molecular weight of 286.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61100594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).