1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one

C19H21NO4 — CID 44818273

IUPAC1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one
SMILESCOc1ccc(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c(O)c1
InChIInChI=1S/C19H21NO4/c1-24-15-8-9-16(17(21)11-15)19(23)13-7-10-18(22)20(12-13)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3
InChIKeyOUVWLMFFQTYXCY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds4

About 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one

1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one (PubChem CID 44818273) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one
PubChem CID44818273
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one
SMILESCOc1ccc(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c(O)c1
InChIInChI=1S/C19H21NO4/c1-24-15-8-9-16(17(21)11-15)19(23)13-7-10-18(22)20(12-13)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3
InChIKeyOUVWLMFFQTYXCY-UHFFFAOYSA-N
XLogP3.30
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxy-4-methoxybenzoyl)-1-phenylpyridin-2-one
CID 44817921
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
N-[1-(2-hydroxy-4-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51127230
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one?
The IUPAC name of 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one (CID 44818273) is 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one is COc1ccc(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c(O)c1.
What is the InChIKey of 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one?
The InChIKey is OUVWLMFFQTYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-24-15-8-9-16(17(21)11-15)19(23)13-7-10-18(22)20(12-13)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one?
1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2-one is sourced from PubChem (CID 44818273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).