(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

C20H18ClNO2 — CID 15870201

IUPAC(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCc1cc(Cc2ccc(O)cc2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-13-11-17(12-14-3-9-18(23)10-4-14)22(2)19(13)20(24)15-5-7-16(21)8-6-15/h3-11,23H,12H2,1-2H3
InChIKeyBQACWSLASYSUDO-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.51
Rot. Bonds4

About (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (PubChem CID 15870201) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
PubChem CID15870201
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCc1cc(Cc2ccc(O)cc2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-13-11-17(12-14-3-9-18(23)10-4-14)22(2)19(13)20(24)15-5-7-16(21)8-6-15/h3-11,23H,12H2,1-2H3
InChIKeyBQACWSLASYSUDO-UHFFFAOYSA-N
XLogP4.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70103781
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;dihydrate
CID 67900085
3-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-4,5-dimethyl-1H-pyridazin-6-one
CID 67724071
(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
CID 67753185
6-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-2-(2-chloroethyl)pyridazin-3-one
CID 67722309
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
CID 67705084
(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
CID 140996347
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
CID 13277467
1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylurea
CID 67611073
[5-[(2-chlorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 173254979
1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-1,3-diphenylurea
CID 67611339
N-butyl-2-[3-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-6-oxopyridazin-1-yl]acetamide
CID 67722272

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (CID 15870201) is (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is Cc1cc(Cc2ccc(O)cc2)n(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The InChIKey is BQACWSLASYSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-13-11-17(12-14-3-9-18(23)10-4-14)22(2)19(13)20(24)15-5-7-16(21)8-6-15/h3-11,23H,12H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone has a molecular weight of 339.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is sourced from PubChem (CID 15870201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).