[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate

C25H31Cl2NO4 — CID 57145848

IUPAC[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate
SMILESCCOc1ccc(Oc2cccc(COC(=O)C(C(C)C)C(C=C(Cl)Cl)C(C)C)n2)cc1
InChIInChI=1S/C25H31Cl2NO4/c1-6-30-19-10-12-20(13-11-19)32-23-9-7-8-18(28-23)15-31-25(29)24(17(4)5)21(16(2)3)14-22(26)27/h7-14,16-17,21,24H,6,15H2,1-5H3
InChIKeyBFTQNZOCXCHECT-UHFFFAOYSA-N
MW480.43 g/mol
LogP7.18
Rot. Bonds11

About [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate

[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate (PubChem CID 57145848) has the molecular formula C25H31Cl2NO4 and a molecular weight of 480.43 g/mol. Its IUPAC name is [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate.

Molecular Properties

Compound Name[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate
PubChem CID57145848
Molecular FormulaC25H31Cl2NO4
Molecular Weight480.43 g/mol
Exact Mass479.16
IUPAC Name[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate
SMILESCCOc1ccc(Oc2cccc(COC(=O)C(C(C)C)C(C=C(Cl)Cl)C(C)C)n2)cc1
InChIInChI=1S/C25H31Cl2NO4/c1-6-30-19-10-12-20(13-11-19)32-23-9-7-8-18(28-23)15-31-25(29)24(17(4)5)21(16(2)3)14-22(26)27/h7-14,16-17,21,24H,6,15H2,1-5H3
InChIKeyBFTQNZOCXCHECT-UHFFFAOYSA-N
XLogP7.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.43
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate with MolForge

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Related Compounds

N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
1-(6-phenoxy-2-pyridinyl)prop-2-ynyl 5,5-dichloro-3-methyl-2-propan-2-ylpent-4-enoate
CID 88754147
(6-phenoxy-2-pyridinyl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate
CID 23340422
[6-(3-ethoxyphenoxy)-2-pyridinyl]methanol
CID 55060755
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
CID 65019360
(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane
CID 15622120
2-phenoxy-6-(propan-2-yloxymethyl)pyridine
CID 154321381
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
CID 57138403
2-chloro-6-[(4-ethoxyphenoxy)methyl]pyridine
CID 79240758
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
1-(6-phenoxy-2-pyridinyl)ethyl 2-[[(Z)-3-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 88718056

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate?
The IUPAC name of [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate (CID 57145848) is [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate.
What is the SMILES notation for [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate?
The canonical SMILES for [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate is CCOc1ccc(Oc2cccc(COC(=O)C(C(C)C)C(C=C(Cl)Cl)C(C)C)n2)cc1.
What is the InChIKey of [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate?
The InChIKey is BFTQNZOCXCHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2NO4/c1-6-30-19-10-12-20(13-11-19)32-23-9-7-8-18(28-23)15-31-25(29)24(17(4)5)21(16(2)3)14-22(26)27/h7-14,16-17,21,24H,6,15H2,1-5H3.
What are the key properties of [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate?
[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate has a molecular weight of 480.43 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyphenoxy)-2-pyridinyl]methyl 5,5-dichloro-2,3-di(propan-2-yl)pent-4-enoate is sourced from PubChem (CID 57145848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).