[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate

C23H23NO3 — CID 167943972

IUPAC[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCc2ccc(OCc3cccnc3)cc2)cc1C
InChIInChI=1S/C23H23NO3/c1-17-5-6-20(12-18(17)2)13-23(25)27-15-19-7-9-22(10-8-19)26-16-21-4-3-11-24-14-21/h3-12,14H,13,15-16H2,1-2H3
InChIKeyFAWCGGDPNHDKEE-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.56
Rot. Bonds7

About [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate

[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate (PubChem CID 167943972) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
PubChem CID167943972
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCc2ccc(OCc3cccnc3)cc2)cc1C
InChIInChI=1S/C23H23NO3/c1-17-5-6-20(12-18(17)2)13-23(25)27-15-19-7-9-22(10-8-19)26-16-21-4-3-11-24-14-21/h3-12,14H,13,15-16H2,1-2H3
InChIKeyFAWCGGDPNHDKEE-UHFFFAOYSA-N
XLogP4.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate
CID 56508118
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
[4-(pyridin-3-ylmethoxy)phenyl]methyl 1,3-dithiane-2-carboxylate
CID 166237899
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate (CID 167943972) is [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)OCc2ccc(OCc3cccnc3)cc2)cc1C.
What is the InChIKey of [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate?
The InChIKey is FAWCGGDPNHDKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17-5-6-20(12-18(17)2)13-23(25)27-15-19-7-9-22(10-8-19)26-16-21-4-3-11-24-14-21/h3-12,14H,13,15-16H2,1-2H3.
What are the key properties of [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate?
[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate has a molecular weight of 361.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 167943972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).