4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

C15H22O2 — CID 14484959

IUPAC4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(C(C)(C)C)c1O)CCO2
InChIInChI=1S/C15H22O2/c1-5-6-10-9-12-11(7-8-17-12)13(14(10)16)15(2,3)4/h9,16H,5-8H2,1-4H3
InChIKeyHTEHTQYZVPRSRB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.58
Rot. Bonds2

About 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484959) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484959
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(C(C)(C)C)c1O)CCO2
InChIInChI=1S/C15H22O2/c1-5-6-10-9-12-11(7-8-17-12)13(14(10)16)15(2,3)4/h9,16H,5-8H2,1-4H3
InChIKeyHTEHTQYZVPRSRB-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butylated Hydroxyanisole
CID 8456
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Gamma-Tocotrienol
CID 5282349
Beta-Tocopherol
CID 6857447
beta-Tocotrienol
CID 5282348
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
Hthq
CID 119193
2-tert-Butyl-4-hydroxyanisole
CID 6932
2,5-Di-tert-butyl-4-methoxyphenol
CID 74812
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
CID 86052
epsilon-Tokoferol
CID 9844470

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484959) is 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1cc2c(c(C(C)(C)C)c1O)CCO2.
What is the InChIKey of 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is HTEHTQYZVPRSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-10-9-12-11(7-8-17-12)13(14(10)16)15(2,3)4/h9,16H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 234.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).