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

C12H16O2 — CID 14484957

IUPAC4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1c(O)ccc2c1CCO2
InChIInChI=1S/C12H16O2/c1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13/h4-5,13H,6-7H2,1-3H3
InChIKeyDJRSGLVTWSQESU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.62
Rot. Bonds

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

4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484957) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484957
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1c(O)ccc2c1CCO2
InChIInChI=1S/C12H16O2/c1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13/h4-5,13H,6-7H2,1-3H3
InChIKeyDJRSGLVTWSQESU-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butylated Hydroxyanisole
CID 8456
Benfuresate
CID 3034378
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
4,6-Bis(1,1-dimethylethyl)-2,3-dihydro-2,2-dipentyl-5-benzofuranol
CID 9800472
2,3-Dihydro-5-hydroxybenzo(b)furan
CID 11126311
L 670630
CID 124255
6-Propyl-2,3-dihydro-1-benzofuran-5-ol
CID 5324657
2-Allyl-4-ethoxyphenol
CID 2104078
L 651896
CID 6438824

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484957) is 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol is CC(C)(C)c1c(O)ccc2c1CCO2.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is DJRSGLVTWSQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 192.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).