1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one

C18H29NO3 — CID 45378270

IUPAC1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
SMILESCc1nc(CCCCCCC(=O)CCCCCO)ccc1O
InChIInChI=1S/C18H29NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,20,22H,2-11,14H2,1H3
InChIKeyYRVGMUCBUGPWMR-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.71
Rot. Bonds12

About 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one

1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one (PubChem CID 45378270) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one.

Molecular Properties

Compound Name1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
PubChem CID45378270
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
SMILESCc1nc(CCCCCCC(=O)CCCCCO)ccc1O
InChIInChI=1S/C18H29NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,20,22H,2-11,14H2,1H3
InChIKeyYRVGMUCBUGPWMR-UHFFFAOYSA-N
XLogP3.71
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
3-Hydroxy-2-hydroxymethyl-6-methylpyridine
CID 135128
Mexidol
CID 122298
6-Methyl-2-ethyl-3-hydroxypyridine hydrochloride
CID 128852
3-Hydroxy-2,6-bis(hydroxymethyl)pyridine hydrochloride
CID 12414156
(Z)-6-[6-(1-hydroxyhexyl)-2-pyridinyl]hex-5-enoic acid
CID 44318466
7'-Multijuguinone
CID 45378269
12-(5-Hydroxy-6-methyl-2-pyridinyl)dodecane-1,5-diol
CID 57379200
Methyl Multijuguinate
CID 57379201
6-(7-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379202
6-(8-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379203

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The IUPAC name of 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one (CID 45378270) is 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one.
What is the SMILES notation for 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The canonical SMILES for 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one is Cc1nc(CCCCCCC(=O)CCCCCO)ccc1O.
What is the InChIKey of 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The InChIKey is YRVGMUCBUGPWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,20,22H,2-11,14H2,1H3.
What are the key properties of 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one has a molecular weight of 307.43 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one is sourced from PubChem (CID 45378270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).