1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol

C16H22O2 — CID 65441075

IUPAC1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2cc(C(C)(C)C)cc(C)c2o1
InChIInChI=1S/C16H22O2/c1-6-13(17)14-9-11-8-12(16(3,4)5)7-10(2)15(11)18-14/h7-9,13,17H,6H2,1-5H3
InChIKeyJCBRCQQMWCQABC-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.48
Rot. Bonds2

About 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol

1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 65441075) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID65441075
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2cc(C(C)(C)C)cc(C)c2o1
InChIInChI=1S/C16H22O2/c1-6-13(17)14-9-11-8-12(16(3,4)5)7-10(2)15(11)18-14/h7-9,13,17H,6H2,1-5H3
InChIKeyJCBRCQQMWCQABC-UHFFFAOYSA-N
XLogP4.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine
CID 62380139
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65439178
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 65427665
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
CID 65440506
N-[(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440555
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 65427836
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol (CID 65441075) is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol is CCC(O)c1cc2cc(C(C)(C)C)cc(C)c2o1.
What is the InChIKey of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is JCBRCQQMWCQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-6-13(17)14-9-11-8-12(16(3,4)5)7-10(2)15(11)18-14/h7-9,13,17H,6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol?
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 65441075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).