3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol

C20H25NO2 — CID 54295252

IUPAC3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol
SMILESCC(=Cc1ccc(Cc2cccnc2)cc1)COC(C)CCO
InChIInChI=1S/C20H25NO2/c1-16(15-23-17(2)9-11-22)12-18-5-7-19(8-6-18)13-20-4-3-10-21-14-20/h3-8,10,12,14,17,22H,9,11,13,15H2,1-2H3
InChIKeySAIUQSIDAGRYOV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.86
Rot. Bonds8

About 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol

3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol (PubChem CID 54295252) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol
PubChem CID54295252
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol
SMILESCC(=Cc1ccc(Cc2cccnc2)cc1)COC(C)CCO
InChIInChI=1S/C20H25NO2/c1-16(15-23-17(2)9-11-22)12-18-5-7-19(8-6-18)13-20-4-3-10-21-14-20/h3-8,10,12,14,17,22H,9,11,13,15H2,1-2H3
InChIKeySAIUQSIDAGRYOV-UHFFFAOYSA-N
XLogP3.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-chloro-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid
CID 88717659
decyl (E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoate
CID 70505759
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
(3,5-ditert-butylphenyl) (E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoate
CID 70505468
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
3-benzylpyridine;formic acid
CID 174503454
(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
CID 87467854
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
ethyl 3-oxo-2-[4-(pyridin-3-ylmethyl)phenoxy]butanoate
CID 70479044

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol?
The IUPAC name of 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol (CID 54295252) is 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol.
What is the SMILES notation for 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol?
The canonical SMILES for 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol is CC(=Cc1ccc(Cc2cccnc2)cc1)COC(C)CCO.
What is the InChIKey of 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol?
The InChIKey is SAIUQSIDAGRYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(15-23-17(2)9-11-22)12-18-5-7-19(8-6-18)13-20-4-3-10-21-14-20/h3-8,10,12,14,17,22H,9,11,13,15H2,1-2H3.
What are the key properties of 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol?
3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butan-1-ol is sourced from PubChem (CID 54295252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).