ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate

C23H22O4 — CID 118056056

IUPACethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
SMILESCCOC(=O)CC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H22O4/c1-2-27-22(26)15-21(16-5-3-4-6-16)23(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h3-5,7-14,24-25H,2,6,15H2,1H3
InChIKeyLCDDERFFVQJELT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.74
Rot. Bonds6

About ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate

ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate (PubChem CID 118056056) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
PubChem CID118056056
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Nameethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
SMILESCCOC(=O)CC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H22O4/c1-2-27-22(26)15-21(16-5-3-4-6-16)23(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h3-5,7-14,24-25H,2,6,15H2,1H3
InChIKeyLCDDERFFVQJELT-UHFFFAOYSA-N
XLogP4.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate with MolForge

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Related Compounds

4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 118056063
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
CID 101481272
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl (Z)-4-cyano-5-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)pent-4-enoate
CID 139692657
ethyl 4-methyl-3-phenylpent-3-enoate
CID 14521609
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
ethyl (E)-3-(4-hydroxyphenyl)-2-methylbut-2-enoate
CID 146646679
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate?
The IUPAC name of ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate (CID 118056056) is ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate.
What is the SMILES notation for ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate?
The canonical SMILES for ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate is CCOC(=O)CC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate?
The InChIKey is LCDDERFFVQJELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-2-27-22(26)15-21(16-5-3-4-6-16)23(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h3-5,7-14,24-25H,2,6,15H2,1H3.
What are the key properties of ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate?
ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate has a molecular weight of 362.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate is sourced from PubChem (CID 118056056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).