(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol

C15H20O4 — CID 115349975

IUPAC(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
SMILESCOc1cc2c(cc1C(O)C1CCOC1)OC(C)C2
InChIInChI=1S/C15H20O4/c1-9-5-11-6-14(17-2)12(7-13(11)19-9)15(16)10-3-4-18-8-10/h6-7,9-10,15-16H,3-5,8H2,1-2H3
InChIKeyZZEJTWIAYHVNDA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds3

About (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol

(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol (PubChem CID 115349975) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
PubChem CID115349975
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
SMILESCOc1cc2c(cc1C(O)C1CCOC1)OC(C)C2
InChIInChI=1S/C15H20O4/c1-9-5-11-6-14(17-2)12(7-13(11)19-9)15(16)10-3-4-18-8-10/h6-7,9-10,15-16H,3-5,8H2,1-2H3
InChIKeyZZEJTWIAYHVNDA-UHFFFAOYSA-N
XLogP2.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
CID 61277092
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
CID 115350139
2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
CID 115350167
2-chloro-N-cyclopropyl-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 115349620
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hex-4-yn-1-ol
CID 104809675

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol (CID 115349975) is (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol is COc1cc2c(cc1C(O)C1CCOC1)OC(C)C2.
What is the InChIKey of (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol?
The InChIKey is ZZEJTWIAYHVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-5-11-6-14(17-2)12(7-13(11)19-9)15(16)10-3-4-18-8-10/h6-7,9-10,15-16H,3-5,8H2,1-2H3.
What are the key properties of (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol?
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol has a molecular weight of 264.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 115349975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).