4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol

C20H13ClN2O2 — CID 135510971

IUPAC4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H13ClN2O2/c21-14-8-9-18(24)15(11-14)16-12-17(19-7-4-10-25-19)23-20(22-16)13-5-2-1-3-6-13/h1-12,24H
InChIKeyWHHAQBCTDHLMRJ-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.43
Rot. Bonds3

About 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol

4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol (PubChem CID 135510971) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol
PubChem CID135510971
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H13ClN2O2/c21-14-8-9-18(24)15(11-14)16-12-17(19-7-4-10-25-19)23-20(22-16)13-5-2-1-3-6-13/h1-12,24H
InChIKeyWHHAQBCTDHLMRJ-UHFFFAOYSA-N
XLogP5.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
3-[6-(furan-2-yl)-4-phenyl-2-pyridinyl]phenol
CID 46887133
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
2-(5-chloro-2-iodophenyl)furan
CID 168524442
2-(4-chlorophenyl)-4-(3-fluorophenyl)-6-(furan-2-yl)pyridine
CID 102139512
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 176758761
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171525545
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol (CID 135510971) is 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol is Oc1ccc(Cl)cc1-c1cc(-c2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol?
The InChIKey is WHHAQBCTDHLMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-14-8-9-18(24)15(11-14)16-12-17(19-7-4-10-25-19)23-20(22-16)13-5-2-1-3-6-13/h1-12,24H.
What are the key properties of 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol?
4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol has a molecular weight of 348.79 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-(furan-2-yl)-2-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135510971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).