2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate

C25H32O6 — CID 68601181

IUPAC2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate
SMILESCCCCOc1cc(/C=C\C(=O)OCCOCC)ccc1OCCc1ccc(O)cc1
InChIInChI=1S/C25H32O6/c1-3-5-15-29-24-19-21(9-13-25(27)31-18-17-28-4-2)8-12-23(24)30-16-14-20-6-10-22(26)11-7-20/h6-13,19,26H,3-5,14-18H2,1-2H3/b13-9-
InChIKeyCWIVJBLVWNWBOP-LCYFTJDESA-N
MW428.53 g/mol
LogP4.79
Rot. Bonds14

About 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate

2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate (PubChem CID 68601181) has the molecular formula C25H32O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate
PubChem CID68601181
Molecular FormulaC25H32O6
Molecular Weight428.53 g/mol
Exact Mass428.22
IUPAC Name2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate
SMILESCCCCOc1cc(/C=C\C(=O)OCCOCC)ccc1OCCc1ccc(O)cc1
InChIInChI=1S/C25H32O6/c1-3-5-15-29-24-19-21(9-13-25(27)31-18-17-28-4-2)8-12-23(24)30-16-14-20-6-10-22(26)11-7-20/h6-13,19,26H,3-5,14-18H2,1-2H3/b13-9-
InChIKeyCWIVJBLVWNWBOP-LCYFTJDESA-N
XLogP4.79
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxy-2-methoxyphenyl)ethoxy]phenyl]prop-2-enoate
CID 68599710
2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-[4-(butylsulfonylamino)phenyl]ethoxy]phenyl]prop-2-enoate
CID 68598862
2-ethoxyethyl 3-[4-[2-(4-butylsulfonyloxyphenyl)ethoxy]-3-methoxyphenyl]prop-2-enoate
CID 90837769
2-ethoxyethyl (Z)-3-[4-[2-(4-butylsulfonyloxyphenyl)ethoxy]-3-methoxyphenyl]prop-2-enoate
CID 87511521
2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(3-chloro-4-methylsulfonyloxyphenyl)ethoxy]phenyl]prop-2-enoate
CID 87511074
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
2-(4-hydroxyphenyl)ethyl (E)-3-(4-amino-3-methoxyphenyl)prop-2-enoate
CID 127049906
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 30442109
6-chlorohexyl (E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoate
CID 86594318

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate?
The IUPAC name of 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate (CID 68601181) is 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate.
What is the SMILES notation for 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate?
The canonical SMILES for 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate is CCCCOc1cc(/C=C\C(=O)OCCOCC)ccc1OCCc1ccc(O)cc1.
What is the InChIKey of 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate?
The InChIKey is CWIVJBLVWNWBOP-LCYFTJDESA-N. The full InChI is InChI=1S/C25H32O6/c1-3-5-15-29-24-19-21(9-13-25(27)31-18-17-28-4-2)8-12-23(24)30-16-14-20-6-10-22(26)11-7-20/h6-13,19,26H,3-5,14-18H2,1-2H3/b13-9-.
What are the key properties of 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate?
2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate has a molecular weight of 428.53 g/mol, XLogP of 4.79, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl (Z)-3-[3-butoxy-4-[2-(4-hydroxyphenyl)ethoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 68601181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).