(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone

C18H15NO — CID 174972579

IUPAC(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone
SMILESCc1cn(-c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H15NO/c1-14-12-19(16-10-6-3-7-11-16)13-17(14)18(20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyHKIWYKKLHXTHKO-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.02
Rot. Bonds3

About (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone

(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone (PubChem CID 174972579) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone
PubChem CID174972579
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone
SMILESCc1cn(-c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H15NO/c1-14-12-19(16-10-6-3-7-11-16)13-17(14)18(20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyHKIWYKKLHXTHKO-UHFFFAOYSA-N
XLogP4.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
1-phenylpyrrole-3,4-dicarboxylate
CID 6947546
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone
CID 21277236
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone?
The IUPAC name of (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone (CID 174972579) is (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone is Cc1cn(-c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone?
The InChIKey is HKIWYKKLHXTHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-14-12-19(16-10-6-3-7-11-16)13-17(14)18(20)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone?
(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone has a molecular weight of 261.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 174972579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).