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

C16H24O2 — CID 66393326

IUPAC2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
SMILESCCCC(C)(CO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H24O2/c1-4-7-16(3,11-17)10-14-9-13-8-12(2)5-6-15(13)18-14/h5-6,8,14,17H,4,7,9-11H2,1-3H3
InChIKeyKJQCGPQIDMTXRI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.49
Rot. Bonds5

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

2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol (PubChem CID 66393326) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
PubChem CID66393326
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
SMILESCCCC(C)(CO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H24O2/c1-4-7-16(3,11-17)10-14-9-13-8-12(2)5-6-15(13)18-14/h5-6,8,14,17H,4,7,9-11H2,1-3H3
InChIKeyKJQCGPQIDMTXRI-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol (CID 66393326) is 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol is CCCC(C)(CO)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol?
The InChIKey is KJQCGPQIDMTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-16(3,11-17)10-14-9-13-8-12(2)5-6-15(13)18-14/h5-6,8,14,17H,4,7,9-11H2,1-3H3.
What are the key properties of 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol?
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol is sourced from PubChem (CID 66393326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).