5-tert-butyl-7-chloro-1-benzofuran-4-ol

C12H13ClO2 — CID 19910759

IUPAC5-tert-butyl-7-chloro-1-benzofuran-4-ol
SMILESCC(C)(C)c1cc(Cl)c2occc2c1O
InChIInChI=1S/C12H13ClO2/c1-12(2,3)8-6-9(13)11-7(10(8)14)4-5-15-11/h4-6,14H,1-3H3
InChIKeyFWEATSDUPMGRPN-UHFFFAOYSA-N
MW224.69 g/mol
LogP4.09
Rot. Bonds

About 5-tert-butyl-7-chloro-1-benzofuran-4-ol

5-tert-butyl-7-chloro-1-benzofuran-4-ol (PubChem CID 19910759) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-1-benzofuran-4-ol.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-1-benzofuran-4-ol
PubChem CID19910759
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name5-tert-butyl-7-chloro-1-benzofuran-4-ol
SMILESCC(C)(C)c1cc(Cl)c2occc2c1O
InChIInChI=1S/C12H13ClO2/c1-12(2,3)8-6-9(13)11-7(10(8)14)4-5-15-11/h4-6,14H,1-3H3
InChIKeyFWEATSDUPMGRPN-UHFFFAOYSA-N
XLogP4.09
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Dibenzofuranol, 8-chloro-
CID 3016682
L 656224
CID 128132
5-tert-Butyl-7-chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-4-ol
CID 14570891
2-Benzyl-7-chloro-3-methyl-5-propyl-benzofuran-4-ol
CID 14570894
2-(p-Chlorobenzyl)-3-methyl-4-hydroxy-5-propyl-7-chlorobenzofuran
CID 14570895
7-Chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-4-ol
CID 14570900
7-Chloro-2-(4-methoxy-benzyl)-3,5-dimethyl-benzofuran-4-ol
CID 14570903
5-Allyl-7-chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-4-ol
CID 14570905
7-Chloro-5-(3-hydroxy-propyl)-2-(4-methoxy-benzyl)-3-methyl-benzofuran-4-ol
CID 14570907
2-(p-Carboxymethoxybenzyl)-3-methyl-4-hydroxy-5-propyl-7-chlorobenzofuran
CID 14570914
AB0022A
CID 9868940
5,7-Dichloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-4-ol
CID 14570890

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-1-benzofuran-4-ol?
The IUPAC name of 5-tert-butyl-7-chloro-1-benzofuran-4-ol (CID 19910759) is 5-tert-butyl-7-chloro-1-benzofuran-4-ol.
What is the SMILES notation for 5-tert-butyl-7-chloro-1-benzofuran-4-ol?
The canonical SMILES for 5-tert-butyl-7-chloro-1-benzofuran-4-ol is CC(C)(C)c1cc(Cl)c2occc2c1O.
What is the InChIKey of 5-tert-butyl-7-chloro-1-benzofuran-4-ol?
The InChIKey is FWEATSDUPMGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-12(2,3)8-6-9(13)11-7(10(8)14)4-5-15-11/h4-6,14H,1-3H3.
What are the key properties of 5-tert-butyl-7-chloro-1-benzofuran-4-ol?
5-tert-butyl-7-chloro-1-benzofuran-4-ol has a molecular weight of 224.69 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-1-benzofuran-4-ol is sourced from PubChem (CID 19910759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).