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

C15H22O2 — CID 61082441

IUPAC2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H22O2/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyXFKDFGKCOLMPHW-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds4

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

2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol (PubChem CID 61082441) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
PubChem CID61082441
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H22O2/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyXFKDFGKCOLMPHW-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
CID 61081250
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 65428516
5-(1-chloroheptyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 114753527
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol (CID 61082441) is 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol is CCCC(C)C(O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol?
The InChIKey is XFKDFGKCOLMPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol?
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol is sourced from PubChem (CID 61082441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).