4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol

C18H18N2O3 — CID 867312

IUPAC4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-11-17(15-10-14(23-3)8-9-16(15)21)18(20-19-11)12-4-6-13(22-2)7-5-12/h4-10,21H,1-3H3,(H,19,20)
InChIKeyAOTWTCLFGRCJOV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.77
Rot. Bonds4

About 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol

4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol (PubChem CID 867312) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol
PubChem CID867312
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-11-17(15-10-14(23-3)8-9-16(15)21)18(20-19-11)12-4-6-13(22-2)7-5-12/h4-10,21H,1-3H3,(H,19,20)
InChIKeyAOTWTCLFGRCJOV-UHFFFAOYSA-N
XLogP3.77
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol (CID 867312) is 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol is COc1ccc(-c2n[nH]c(C)c2-c2cc(OC)ccc2O)cc1.
What is the InChIKey of 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol?
The InChIKey is AOTWTCLFGRCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-17(15-10-14(23-3)8-9-16(15)21)18(20-19-11)12-4-6-13(22-2)7-5-12/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol?
4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol has a molecular weight of 310.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 867312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).