5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

C23H18Cl2N2O3 — CID 135651228

IUPAC5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1
InChIInChI=1S/C23H18Cl2N2O3/c1-29-17-6-3-14(4-7-17)20-12-26-27-23(20)19-9-8-18(11-22(19)28)30-13-15-2-5-16(24)10-21(15)25/h2-12,28H,13H2,1H3,(H,26,27)
InChIKeyMWPOQTCGJDLOJI-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.34
Rot. Bonds6

About 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 135651228) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID135651228
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1
InChIInChI=1S/C23H18Cl2N2O3/c1-29-17-6-3-14(4-7-17)20-12-26-27-23(20)19-9-8-18(11-22(19)28)30-13-15-2-5-16(24)10-21(15)25/h2-12,28H,13H2,1H3,(H,26,27)
InChIKeyMWPOQTCGJDLOJI-UHFFFAOYSA-N
XLogP6.34
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 135651228) is 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is MWPOQTCGJDLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-29-17-6-3-14(4-7-17)20-12-26-27-23(20)19-9-8-18(11-22(19)28)30-13-15-2-5-16(24)10-21(15)25/h2-12,28H,13H2,1H3,(H,26,27).
What are the key properties of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 441.31 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135651228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).