cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate

C15H14O2 — CID 90224063

IUPACcyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC2=CC=CC2)cc1
InChIInChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)15(16)17-11-13-5-3-4-6-13/h2-5,7-10H,1,6,11H2
InChIKeyGZMBTZRMFGCKFK-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.37
Rot. Bonds4

About cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate

cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate (PubChem CID 90224063) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate
PubChem CID90224063
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Namecyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC2=CC=CC2)cc1
InChIInChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)15(16)17-11-13-5-3-4-6-13/h2-5,7-10H,1,6,11H2
InChIKeyGZMBTZRMFGCKFK-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxyethyl 4-ethenylbenzoate
CID 58960727
hexyl 4-ethenylbenzoate
CID 12541506
5-bromopentyl 4-ethenylbenzoate
CID 54019940
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
(3-methyloxiran-2-yl)methyl 4-ethenylbenzoate
CID 88520100
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate?
The IUPAC name of cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate (CID 90224063) is cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate?
The canonical SMILES for cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCC2=CC=CC2)cc1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate?
The InChIKey is GZMBTZRMFGCKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)15(16)17-11-13-5-3-4-6-13/h2-5,7-10H,1,6,11H2.
What are the key properties of cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate?
cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate has a molecular weight of 226.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate is sourced from PubChem (CID 90224063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).