(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate

C15H14O2 — CID 164546423

IUPAC(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1C1C=CC=C1
InChIInChI=1S/C15H14O2/c1-3-14(16)17-15-11(2)7-6-10-13(15)12-8-4-5-9-12/h3-10,12H,1H2,2H3
InChIKeyAYBNDUANTWYWMN-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.30
Rot. Bonds3

About (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate

(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate (PubChem CID 164546423) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
PubChem CID164546423
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1C1C=CC=C1
InChIInChI=1S/C15H14O2/c1-3-14(16)17-15-11(2)7-6-10-13(15)12-8-4-5-9-12/h3-10,12H,1H2,2H3
InChIKeyAYBNDUANTWYWMN-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
CID 164546897
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
(2,6-dibromophenyl) prop-2-enoate
CID 91415970
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 141237345
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
CID 174664238
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944
[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
CID 162138067

Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate?
The IUPAC name of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate (CID 164546423) is (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate.
What is the SMILES notation for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate?
The canonical SMILES for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate is C=CC(=O)Oc1c(C)cccc1C1C=CC=C1.
What is the InChIKey of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate?
The InChIKey is AYBNDUANTWYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-14(16)17-15-11(2)7-6-10-13(15)12-8-4-5-9-12/h3-10,12H,1H2,2H3.
What are the key properties of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate?
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate is sourced from PubChem (CID 164546423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).