3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol

C18H28O3 — CID 19877344

IUPAC3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCc1c(CCCO)c2c(c(C)c1OC(C)C)CC(C)(C)O2
InChIInChI=1S/C18H28O3/c1-11(2)20-16-12(3)14(8-7-9-19)17-15(13(16)4)10-18(5,6)21-17/h11,19H,7-10H2,1-6H3
InChIKeyAUITYLCZHMFTPE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.73
Rot. Bonds5

About 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol

3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol (PubChem CID 19877344) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol
PubChem CID19877344
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCc1c(CCCO)c2c(c(C)c1OC(C)C)CC(C)(C)O2
InChIInChI=1S/C18H28O3/c1-11(2)20-16-12(3)14(8-7-9-19)17-15(13(16)4)10-18(5,6)21-17/h11,19H,7-10H2,1-6H3
InChIKeyAUITYLCZHMFTPE-UHFFFAOYSA-N
XLogP3.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol (CID 19877344) is 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol is Cc1c(CCCO)c2c(c(C)c1OC(C)C)CC(C)(C)O2.
What is the InChIKey of 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is AUITYLCZHMFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-11(2)20-16-12(3)14(8-7-9-19)17-15(13(16)4)10-18(5,6)21-17/h11,19H,7-10H2,1-6H3.
What are the key properties of 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol?
3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 19877344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).