2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine

C16H8Cl2N2O — CID 118233853

IUPAC2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1cccc(-c2nc(Cl)nc3c2oc2ccccc23)c1
InChIInChI=1S/C16H8Cl2N2O/c17-10-5-3-4-9(8-10)13-15-14(20-16(18)19-13)11-6-1-2-7-12(11)21-15/h1-8H
InChIKeyBUAHWEKBSYFAMT-UHFFFAOYSA-N
MW315.16 g/mol
LogP5.35
Rot. Bonds1

About 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine

2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 118233853) has the molecular formula C16H8Cl2N2O and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID118233853
Molecular FormulaC16H8Cl2N2O
Molecular Weight315.16 g/mol
Exact Mass314.00
IUPAC Name2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1cccc(-c2nc(Cl)nc3c2oc2ccccc23)c1
InChIInChI=1S/C16H8Cl2N2O/c17-10-5-3-4-9(8-10)13-15-14(20-16(18)19-13)11-6-1-2-7-12(11)21-15/h1-8H
InChIKeyBUAHWEKBSYFAMT-UHFFFAOYSA-N
XLogP5.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.16
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 118551545
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
2,4-ditert-butyl-6-(2-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenol
CID 137286554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 118233853) is 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine is Clc1cccc(-c2nc(Cl)nc3c2oc2ccccc23)c1.
What is the InChIKey of 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BUAHWEKBSYFAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O/c17-10-5-3-4-9(8-10)13-15-14(20-16(18)19-13)11-6-1-2-7-12(11)21-15/h1-8H.
What are the key properties of 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 315.16 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 118233853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).