3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol

C15H20O3 — CID 103027711

IUPAC3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20O3/c1-10-6-5-7-11-8-13(18-14(10)11)12(16)9-15(2,3)17-4/h5-8,12,16H,9H2,1-4H3
InChIKeyLHUJSAYIMUZGLU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds4

About 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol

3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol (PubChem CID 103027711) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
PubChem CID103027711
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20O3/c1-10-6-5-7-11-8-13(18-14(10)11)12(16)9-15(2,3)17-4/h5-8,12,16H,9H2,1-4H3
InChIKeyLHUJSAYIMUZGLU-UHFFFAOYSA-N
XLogP3.59
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114727377
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol (CID 103027711) is 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol is COC(C)(C)CC(O)c1cc2cccc(C)c2o1.
What is the InChIKey of 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol?
The InChIKey is LHUJSAYIMUZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-6-5-7-11-8-13(18-14(10)11)12(16)9-15(2,3)17-4/h5-8,12,16H,9H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol?
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol is sourced from PubChem (CID 103027711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).