(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C16H19NO — CID 63927682

IUPAC(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2[nH]c(C)c(C)c2C)c(C)c1
InChIInChI=1S/C16H19NO/c1-9-6-7-14(10(2)8-9)16(18)15-12(4)11(3)13(5)17-15/h6-8,17H,1-5H3
InChIKeySUMQKGVUYRTSPE-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.79
Rot. Bonds2

About (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63927682) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63927682
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2[nH]c(C)c(C)c2C)c(C)c1
InChIInChI=1S/C16H19NO/c1-9-6-7-14(10(2)8-9)16(18)15-12(4)11(3)13(5)17-15/h6-8,17H,1-5H3
InChIKeySUMQKGVUYRTSPE-UHFFFAOYSA-N
XLogP3.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 113399947
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18106384
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
5-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbaldehyde
CID 82391376
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63927682) is (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1ccc(C(=O)c2[nH]c(C)c(C)c2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is SUMQKGVUYRTSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-9-6-7-14(10(2)8-9)16(18)15-12(4)11(3)13(5)17-15/h6-8,17H,1-5H3.
What are the key properties of (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63927682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).