2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

C16H9ClN2O2 — CID 78294875

IUPAC2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C1N=C(c2ccc(Cl)cc2)N=C2c3ccccc3OC12
InChIInChI=1S/C16H9ClN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-14(13)16(20)19-15/h1-8,14H
InChIKeyGEHMUVWGKVCYCD-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.88
Rot. Bonds1

About 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 78294875) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID78294875
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C1N=C(c2ccc(Cl)cc2)N=C2c3ccccc3OC12
InChIInChI=1S/C16H9ClN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-14(13)16(20)19-15/h1-8,14H
InChIKeyGEHMUVWGKVCYCD-UHFFFAOYSA-N
XLogP2.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839
1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
CID 57338227
2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
CID 136810611
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
methyl 2-(4-chlorophenyl)-4-hydroxy-2H-chromene-3-carboxylate
CID 102581326
(3Z)-5-(4-chlorophenyl)-1,6-benzoxazocin-2-one
CID 102431034
4'-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 101271227
3-chloro-2-phenyl-2H-chromene-4-carbaldehyde
CID 13393803
4-bromo-3-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
CID 57332670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 78294875) is 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one is O=C1N=C(c2ccc(Cl)cc2)N=C2c3ccccc3OC12.
What is the InChIKey of 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is GEHMUVWGKVCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-14(13)16(20)19-15/h1-8,14H.
What are the key properties of 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 296.71 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78294875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).