4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol

C18H17NO3 — CID 138526165

IUPAC4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol
SMILESCOc1ccc(C2=C(c3cc(C)c(O)cc3O)CN=C2)cc1
InChIInChI=1S/C18H17NO3/c1-11-7-14(18(21)8-17(11)20)16-10-19-9-15(16)12-3-5-13(22-2)6-4-12/h3-9,20-21H,10H2,1-2H3
InChIKeyLBOAHXWEVUZJGJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.41
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol

4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol (PubChem CID 138526165) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol
PubChem CID138526165
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol
SMILESCOc1ccc(C2=C(c3cc(C)c(O)cc3O)CN=C2)cc1
InChIInChI=1S/C18H17NO3/c1-11-7-14(18(21)8-17(11)20)16-10-19-9-15(16)12-3-5-13(22-2)6-4-12/h3-9,20-21H,10H2,1-2H3
InChIKeyLBOAHXWEVUZJGJ-UHFFFAOYSA-N
XLogP3.41
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 142259912
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
2-(4-methoxyphenyl)-6-methylpyridin-3-ol
CID 68887118
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
2-methoxy-4-(4-methoxy-2-methylphenyl)phenol
CID 53220857

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol (CID 138526165) is 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol is COc1ccc(C2=C(c3cc(C)c(O)cc3O)CN=C2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol?
The InChIKey is LBOAHXWEVUZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-7-14(18(21)8-17(11)20)16-10-19-9-15(16)12-3-5-13(22-2)6-4-12/h3-9,20-21H,10H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol?
4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol has a molecular weight of 295.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 138526165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).