5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde

C23H25NO3 — CID 130305924

IUPAC5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde
SMILESCCc1c(-c2cccc(O)c2)c(C=O)c(C)n1CCc1ccc(OC)cc1
InChIInChI=1S/C23H25NO3/c1-4-22-23(18-6-5-7-19(26)14-18)21(15-25)16(2)24(22)13-12-17-8-10-20(27-3)11-9-17/h5-11,14-15,26H,4,12-13H2,1-3H3
InChIKeyLQQQSAKIDBWVKT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.80
Rot. Bonds7

About 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde

5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde (PubChem CID 130305924) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde
PubChem CID130305924
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde
SMILESCCc1c(-c2cccc(O)c2)c(C=O)c(C)n1CCc1ccc(OC)cc1
InChIInChI=1S/C23H25NO3/c1-4-22-23(18-6-5-7-19(26)14-18)21(15-25)16(2)24(22)13-12-17-8-10-20(27-3)11-9-17/h5-11,14-15,26H,4,12-13H2,1-3H3
InChIKeyLQQQSAKIDBWVKT-UHFFFAOYSA-N
XLogP4.80
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 161104087
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3775192
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde?
The IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde (CID 130305924) is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde is CCc1c(-c2cccc(O)c2)c(C=O)c(C)n1CCc1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde?
The InChIKey is LQQQSAKIDBWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-22-23(18-6-5-7-19(26)14-18)21(15-25)16(2)24(22)13-12-17-8-10-20(27-3)11-9-17/h5-11,14-15,26H,4,12-13H2,1-3H3.
What are the key properties of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde?
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde has a molecular weight of 363.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde is sourced from PubChem (CID 130305924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).