[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol

C21H29NO2 — CID 146213676

IUPAC[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol
SMILESCOc1ccc(C(C)(C)CCC(C)(C)c2ccc(CO)cc2)cn1
InChIInChI=1S/C21H29NO2/c1-20(2,17-8-6-16(15-23)7-9-17)12-13-21(3,4)18-10-11-19(24-5)22-14-18/h6-11,14,23H,12-13,15H2,1-5H3
InChIKeyXAURVQZZSYILLH-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.62
Rot. Bonds7

About [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol

[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol (PubChem CID 146213676) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol
PubChem CID146213676
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol
SMILESCOc1ccc(C(C)(C)CCC(C)(C)c2ccc(CO)cc2)cn1
InChIInChI=1S/C21H29NO2/c1-20(2,17-8-6-16(15-23)7-9-17)12-13-21(3,4)18-10-11-19(24-5)22-14-18/h6-11,14,23H,12-13,15H2,1-5H3
InChIKeyXAURVQZZSYILLH-UHFFFAOYSA-N
XLogP4.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol with MolForge

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Related Compounds

(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 114936936
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
2-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine
CID 175626285
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine
CID 156599683
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
(3-methoxyisoquinolin-7-yl)methanol
CID 126675662

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol (CID 146213676) is [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol is COc1ccc(C(C)(C)CCC(C)(C)c2ccc(CO)cc2)cn1.
What is the InChIKey of [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol?
The InChIKey is XAURVQZZSYILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-20(2,17-8-6-16(15-23)7-9-17)12-13-21(3,4)18-10-11-19(24-5)22-14-18/h6-11,14,23H,12-13,15H2,1-5H3.
What are the key properties of [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol?
[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol has a molecular weight of 327.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol is sourced from PubChem (CID 146213676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).