5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine

C21H27NO — CID 156599683

IUPAC5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine
SMILESCOc1ccc(C(C)(CC=C(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C21H27NO/c1-17(2)12-14-21(3,15-13-18-8-6-5-7-9-18)19-10-11-20(23-4)22-16-19/h5-12,16H,13-15H2,1-4H3
InChIKeyWBCQUHHAIPDFLN-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.34
Rot. Bonds7

About 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine

5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine (PubChem CID 156599683) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine
PubChem CID156599683
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine
SMILESCOc1ccc(C(C)(CC=C(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C21H27NO/c1-17(2)12-14-21(3,15-13-18-8-6-5-7-9-18)19-10-11-20(23-4)22-16-19/h5-12,16H,13-15H2,1-4H3
InChIKeyWBCQUHHAIPDFLN-UHFFFAOYSA-N
XLogP5.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol
CID 146213676
2-methoxy-2-methyl-4-phenylbutanal
CID 105446188
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
(2S,3S)-3-(6-methoxy-3-pyridinyl)-2-methyl-2-phenylpent-4-enal
CID 146162226
tert-butyl N-[3-amino-6-methyl-1-(4-phenylmethoxyphenyl)hept-5-en-3-yl]carbamate
CID 70163514
(2R,3S)-2-(6-methoxy-3-pyridinyl)-3-methylpent-4-en-2-ol
CID 166443721
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
(2-deuterio-4-methylpent-3-enyl)benzene
CID 84820233
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine?
The IUPAC name of 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine (CID 156599683) is 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine.
What is the SMILES notation for 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine?
The canonical SMILES for 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine is COc1ccc(C(C)(CC=C(C)C)CCc2ccccc2)cn1.
What is the InChIKey of 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine?
The InChIKey is WBCQUHHAIPDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(2)12-14-21(3,15-13-18-8-6-5-7-9-18)19-10-11-20(23-4)22-16-19/h5-12,16H,13-15H2,1-4H3.
What are the key properties of 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine?
5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine has a molecular weight of 309.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine is sourced from PubChem (CID 156599683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).