(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C24H23NO3 — CID 127024094

IUPAC(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1cccnc1-c1ccc2c(c1)CCC(C)C2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H23NO3/c1-14-5-6-16-12-17(23-15(2)4-3-11-25-23)7-9-19(16)22(14)24(28)20-10-8-18(26)13-21(20)27/h3-4,7-14,22,26-27H,5-6H2,1-2H3
InChIKeyPNMORMAFEGBQRP-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.02
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 127024094) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID127024094
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1cccnc1-c1ccc2c(c1)CCC(C)C2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H23NO3/c1-14-5-6-16-12-17(23-15(2)4-3-11-25-23)7-9-19(16)22(14)24(28)20-10-8-18(26)13-21(20)27/h3-4,7-14,22,26-27H,5-6H2,1-2H3
InChIKeyPNMORMAFEGBQRP-UHFFFAOYSA-N
XLogP5.02
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone (6)
CID 10657726
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one
CID 5413051
N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-4-ylbenzamide
CID 146316388
2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide
CID 146316420
2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-3-ylbenzamide
CID 146316429
N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide
CID 146316456
N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide
CID 146316488
2,4-dihydroxy-N,5-di(propan-2-yl)-N-pyridin-4-ylbenzamide
CID 146316542
2,4-dihydroxy-N,5-di(propan-2-yl)-N-pyridin-3-ylbenzamide
CID 146316568
(2E)-5-hydroxy-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 168279809

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 127024094) is (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is Cc1cccnc1-c1ccc2c(c1)CCC(C)C2C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is PNMORMAFEGBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-14-5-6-16-12-17(23-15(2)4-3-11-25-23)7-9-19(16)22(14)24(28)20-10-8-18(26)13-21(20)27/h3-4,7-14,22,26-27H,5-6H2,1-2H3.
What are the key properties of (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
(2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 373.45 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 127024094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).