1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol

C17H19NO3 — CID 104735809

IUPAC1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
SMILESCOc1cc2c(cc1C(O)Cc1cccnc1)OC(C)C2
InChIInChI=1S/C17H19NO3/c1-11-6-13-8-17(20-2)14(9-16(13)21-11)15(19)7-12-4-3-5-18-10-12/h3-5,8-11,15,19H,6-7H2,1-2H3
InChIKeyBRYFEHWKFQILGE-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.69
Rot. Bonds4

About 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol (PubChem CID 104735809) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
PubChem CID104735809
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
SMILESCOc1cc2c(cc1C(O)Cc1cccnc1)OC(C)C2
InChIInChI=1S/C17H19NO3/c1-11-6-13-8-17(20-2)14(9-16(13)21-11)15(19)7-12-4-3-5-18-10-12/h3-5,8-11,15,19H,6-7H2,1-2H3
InChIKeyBRYFEHWKFQILGE-UHFFFAOYSA-N
XLogP2.69
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 92584798
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
CID 115350167
3-(dimethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350104
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
CID 115350139
2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
CID 103376772
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
2,2-difluoro-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 113291942

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol (CID 104735809) is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol is COc1cc2c(cc1C(O)Cc1cccnc1)OC(C)C2.
What is the InChIKey of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol?
The InChIKey is BRYFEHWKFQILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-6-13-8-17(20-2)14(9-16(13)21-11)15(19)7-12-4-3-5-18-10-12/h3-5,8-11,15,19H,6-7H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol?
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol has a molecular weight of 285.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 104735809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).