1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol

C18H27NO3 — CID 135031867

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H27NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13-14,20H,9-12H2,1-4H3
InChIKeyZLXJNMFOBXGHBK-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol

1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 135031867) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID135031867
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H27NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13-14,20H,9-12H2,1-4H3
InChIKeyZLXJNMFOBXGHBK-UHFFFAOYSA-N
XLogP3.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

1-(2-Hydroxy-3-(2-isopropylphenoxy)propyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 4471411
1-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
4-(2,3-Dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
CID 102100110
(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol
CID 134954969
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
CID 135031861
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
CID 135031863
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 135031864
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
CID 135031865
(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol
CID 164685237
1-[(S)-3-(o-cumenyloxy)-2-hydroxypropyl]-2,2,6,6-tetramethyl-4-piperidinol
CID 7025105
1-(3-Phenyl-2,3-dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12116356
N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
CID 12709387

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol (CID 135031867) is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1OCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is ZLXJNMFOBXGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13-14,20H,9-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol?
1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 305.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 135031867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).