(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone

C27H25NO3 — CID 112811513

IUPAC(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C27H25NO3/c1-18-7-8-22(17-19(18)2)26(30)24-5-3-4-6-25(24)27(31)28-15-13-21(14-16-28)20-9-11-23(29)12-10-20/h3-13,17,29H,14-16H2,1-2H3
InChIKeySLCINLGKHMLCSY-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.17
Rot. Bonds4

About (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone

(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone (PubChem CID 112811513) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
PubChem CID112811513
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C27H25NO3/c1-18-7-8-22(17-19(18)2)26(30)24-5-3-4-6-25(24)27(31)28-15-13-21(14-16-28)20-9-11-23(29)12-10-20/h3-13,17,29H,14-16H2,1-2H3
InChIKeySLCINLGKHMLCSY-UHFFFAOYSA-N
XLogP5.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802805
5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 112803139
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250951
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 154759899
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112812912
1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802745
(5-chloro-4-iodo-2-methoxyphenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112823992
[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 99792639

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone (CID 112811513) is (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone is Cc1ccc(C(=O)c2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone?
The InChIKey is SLCINLGKHMLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-18-7-8-22(17-19(18)2)26(30)24-5-3-4-6-25(24)27(31)28-15-13-21(14-16-28)20-9-11-23(29)12-10-20/h3-13,17,29H,14-16H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone?
(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone has a molecular weight of 411.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 112811513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).