4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate

C21H24N2O5 — CID 155797964

IUPAC4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOc1ccc(/N=N/c2ccc(OC)cc2O)cc1
InChIInChI=1S/C21H24N2O5/c1-15(2)21(25)28-13-5-4-12-27-17-8-6-16(7-9-17)22-23-19-11-10-18(26-3)14-20(19)24/h6-11,14,24H,1,4-5,12-13H2,2-3H3/b23-22+
InChIKeyRPDIYCRHQOQUOL-GHVJWSGMSA-N
MW384.43 g/mol
LogP5.09
Rot. Bonds10

About 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate

4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate (PubChem CID 155797964) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate
PubChem CID155797964
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOc1ccc(/N=N/c2ccc(OC)cc2O)cc1
InChIInChI=1S/C21H24N2O5/c1-15(2)21(25)28-13-5-4-12-27-17-8-6-16(7-9-17)22-23-19-11-10-18(26-3)14-20(19)24/h6-11,14,24H,1,4-5,12-13H2,2-3H3/b23-22+
InChIKeyRPDIYCRHQOQUOL-GHVJWSGMSA-N
XLogP5.09
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101054704
6-[4-[(4-pentoxyphenyl)diazenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101248287
5-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 101466134
4-[4-[[4-(4-dodecoxy-3-methoxyphenyl)phenyl]diazenyl]phenoxy]butyl 2-methylprop-2-enoate
CID 102454980
pentyl 4-[[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]diazenyl]benzoate
CID 102100257
12-[4-[[4-[[4-[[2-hydroxy-4-(12-prop-2-enoyloxydodecoxy)phenyl]diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenoxy]dodecyl prop-2-enoate
CID 156628727
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
3-(4-amino-3-hydroxyphenoxy)propyl 2-methylprop-2-enoate
CID 143071517
4-[4-[2-[4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]ethynyl]phenoxy]butyl 2-methylprop-2-enoate
CID 58987347
3-[4-[[4-[4-[[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]diazenyl]phenyl]phenyl]methylideneamino]phenoxy]propyl 2-methylprop-2-enoate
CID 140930625
methyl 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate
CID 58785408
8-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]octyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 66671830

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate (CID 155797964) is 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOc1ccc(/N=N/c2ccc(OC)cc2O)cc1.
What is the InChIKey of 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate?
The InChIKey is RPDIYCRHQOQUOL-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-15(2)21(25)28-13-5-4-12-27-17-8-6-16(7-9-17)22-23-19-11-10-18(26-3)14-20(19)24/h6-11,14,24H,1,4-5,12-13H2,2-3H3/b23-22+.
What are the key properties of 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate?
4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate has a molecular weight of 384.43 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 155797964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).