2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone

C23H21Cl2NO5 — CID 118707988

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(O)cc2)c1OC
InChIInChI=1S/C23H21Cl2NO5/c1-29-21-8-7-16(20(28)11-17-18(24)12-26-13-19(17)25)22(23(21)30-2)31-10-9-14-3-5-15(27)6-4-14/h3-8,12-13,27H,9-11H2,1-2H3
InChIKeyFAOYEYVHLDTSRY-UHFFFAOYSA-N
MW462.33 g/mol
LogP5.16
Rot. Bonds9

About 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone (PubChem CID 118707988) has the molecular formula C23H21Cl2NO5 and a molecular weight of 462.33 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone
PubChem CID118707988
Molecular FormulaC23H21Cl2NO5
Molecular Weight462.33 g/mol
Exact Mass461.08
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(O)cc2)c1OC
InChIInChI=1S/C23H21Cl2NO5/c1-29-21-8-7-16(20(28)11-17-18(24)12-26-13-19(17)25)22(23(21)30-2)31-10-9-14-3-5-15(27)6-4-14/h3-8,12-13,27H,9-11H2,1-2H3
InChIKeyFAOYEYVHLDTSRY-UHFFFAOYSA-N
XLogP5.16
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone with MolForge

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Related Compounds

Leo-29102
CID 66829720
Pyriofenone
CID 23082663
N-Benzyl-2-{6-[(3,5-Dichloropyridin-4-Yl)acetyl]-2,3-Dimethoxyphenoxy}acetamide
CID 66829828
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide
CID 66829675
(S)-4-(2-(4-carboxy-3-(cyclopropylmethoxy)benzoyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)ethyl)-3,5-dichloropyridine 1-oxide
CID 76325008
(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)-phenyl)-2-(3-hydroxy-4-methoxybenzoyloxy)ethyl)pyridine 1-oxide
CID 76328579
[2-(3,5-Dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethyl] 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
CID 162675489
2-(3,5-Dichloro-pyridin-4-yl)-1-(2,3,4-trimethoxy-phenyl)-ethanone
CID 22734050
2-[6-[2-(3,5-Dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide
CID 24957745
2-(3,5-Dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone
CID 24957749
2-(3,5-Dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]ethanone
CID 24959218
2-(3,5-Dichloro-pyridin-4-yl)-1-(3,4-dimethoxy-2-phenethyloxy-phenyl)-ethanone
CID 24959219

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone (CID 118707988) is 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(O)cc2)c1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone?
The InChIKey is FAOYEYVHLDTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2NO5/c1-29-21-8-7-16(20(28)11-17-18(24)12-26-13-19(17)25)22(23(21)30-2)31-10-9-14-3-5-15(27)6-4-14/h3-8,12-13,27H,9-11H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone has a molecular weight of 462.33 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[2-[2-(4-hydroxyphenyl)ethoxy]-3,4-dimethoxyphenyl]ethanone is sourced from PubChem (CID 118707988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).