2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol

C24H25ClN2O2 — CID 137286554

IUPAC2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc(Cl)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H25ClN2O2/c1-23(2,3)13-11-15(20(28)16(12-13)24(4,5)6)19-21-18(26-22(25)27-19)14-9-7-8-10-17(14)29-21/h7-12,28H,1-6H3
InChIKeySVNKWJINCUKALR-UHFFFAOYSA-N
MW408.93 g/mol
LogP7.00
Rot. Bonds1

About 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol

2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol (PubChem CID 137286554) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol
PubChem CID137286554
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc(Cl)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H25ClN2O2/c1-23(2,3)13-11-15(20(28)16(12-13)24(4,5)6)19-21-18(26-22(25)27-19)14-9-7-8-10-17(14)29-21/h7-12,28H,1-6H3
InChIKeySVNKWJINCUKALR-UHFFFAOYSA-N
XLogP7.00
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118233853
2,4-ditert-butyl-6-[2-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
CID 140874050
2,4-ditert-butyl-6-[4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874072
2-chloro-4-[3-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122490040
2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
3-(3,5-ditert-butyl-2-hydroxyphenyl)chromen-2-one
CID 10405622
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-3-yl]benzimidazol-2-yl]phenol
CID 140906006
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol (CID 137286554) is 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol is CC(C)(C)c1cc(-c2nc(Cl)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol?
The InChIKey is SVNKWJINCUKALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-23(2,3)13-11-15(20(28)16(12-13)24(4,5)6)19-21-18(26-22(25)27-19)14-9-7-8-10-17(14)29-21/h7-12,28H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol?
2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol has a molecular weight of 408.93 g/mol, XLogP of 7.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 137286554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).