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

C16H24O2 — CID 66393519

IUPAC2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
SMILESCCC(CC)(CO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H24O2/c1-4-16(5-2,11-17)10-14-9-13-8-12(3)6-7-15(13)18-14/h6-8,14,17H,4-5,9-11H2,1-3H3
InChIKeyPBLJDPBDWQXRQX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.49
Rot. Bonds5

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

2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol (PubChem CID 66393519) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
PubChem CID66393519
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
SMILESCCC(CC)(CO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H24O2/c1-4-16(5-2,11-17)10-14-9-13-8-12(3)6-7-15(13)18-14/h6-8,14,17H,4-5,9-11H2,1-3H3
InChIKeyPBLJDPBDWQXRQX-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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Related Compounds

2-[2,2-bis(bromomethyl)butyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 79455391
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]but-3-en-1-ol
CID 102641833
2-[2-(bromomethyl)-2-methylbutyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66393523
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 66361837
N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115927181
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol (CID 66393519) is 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol is CCC(CC)(CO)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The InChIKey is PBLJDPBDWQXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-16(5-2,11-17)10-14-9-13-8-12(3)6-7-15(13)18-14/h6-8,14,17H,4-5,9-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-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-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol is sourced from PubChem (CID 66393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).