3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol

C14H20O2 — CID 79837439

IUPAC3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
SMILESCC1Cc2cc(C(C)(C)CCO)ccc2O1
InChIInChI=1S/C14H20O2/c1-10-8-11-9-12(4-5-13(11)16-10)14(2,3)6-7-15/h4-5,9-10,15H,6-8H2,1-3H3
InChIKeyYJXQKAORYDHGPO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol

3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol (PubChem CID 79837439) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
PubChem CID79837439
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
SMILESCC1Cc2cc(C(C)(C)CCO)ccc2O1
InChIInChI=1S/C14H20O2/c1-10-8-11-9-12(4-5-13(11)16-10)14(2,3)6-7-15/h4-5,9-10,15H,6-8H2,1-3H3
InChIKeyYJXQKAORYDHGPO-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amino]propane-1,2-diol
CID 168597315
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The IUPAC name of 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol (CID 79837439) is 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol is CC1Cc2cc(C(C)(C)CCO)ccc2O1.
What is the InChIKey of 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The InChIKey is YJXQKAORYDHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-8-11-9-12(4-5-13(11)16-10)14(2,3)6-7-15/h4-5,9-10,15H,6-8H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol is sourced from PubChem (CID 79837439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).