propyl 3-(3-phenylphenyl)prop-2-enoate

C18H18O2 — CID 135124125

IUPACpropyl 3-(3-phenylphenyl)prop-2-enoate
SMILESCCCOC(=O)C=Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18O2/c1-2-13-20-18(19)12-11-15-7-6-10-17(14-15)16-8-4-3-5-9-16/h3-12,14H,2,13H2,1H3
InChIKeyWSXLCFNBEGTEDT-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.32
Rot. Bonds5

About propyl 3-(3-phenylphenyl)prop-2-enoate

propyl 3-(3-phenylphenyl)prop-2-enoate (PubChem CID 135124125) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is propyl 3-(3-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(3-phenylphenyl)prop-2-enoate
PubChem CID135124125
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namepropyl 3-(3-phenylphenyl)prop-2-enoate
SMILESCCCOC(=O)C=Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18O2/c1-2-13-20-18(19)12-11-15-7-6-10-17(14-15)16-8-4-3-5-9-16/h3-12,14H,2,13H2,1H3
InChIKeyWSXLCFNBEGTEDT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
propyl 3-(3-cyanophenyl)prop-2-enoate
CID 112727938
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
ethyl 3-[3-[4-(aminomethyl)phenyl]phenyl]prop-2-enoate
CID 174410498
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
propyl 3-(3-butan-2-yloxyphenyl)prop-2-enoate
CID 140807788
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
propyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 158296858
pentyl (E)-3-(3-hydroxyphenyl)prop-2-enoate
CID 134086980
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
propyl (E)-3-(3,4-difluorophenyl)prop-2-enoate
CID 141353403
propyl 3-pyridin-3-ylprop-2-enoate
CID 3752856

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-phenylphenyl)prop-2-enoate?
The IUPAC name of propyl 3-(3-phenylphenyl)prop-2-enoate (CID 135124125) is propyl 3-(3-phenylphenyl)prop-2-enoate.
What is the SMILES notation for propyl 3-(3-phenylphenyl)prop-2-enoate?
The canonical SMILES for propyl 3-(3-phenylphenyl)prop-2-enoate is CCCOC(=O)C=Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of propyl 3-(3-phenylphenyl)prop-2-enoate?
The InChIKey is WSXLCFNBEGTEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-13-20-18(19)12-11-15-7-6-10-17(14-15)16-8-4-3-5-9-16/h3-12,14H,2,13H2,1H3.
What are the key properties of propyl 3-(3-phenylphenyl)prop-2-enoate?
propyl 3-(3-phenylphenyl)prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 135124125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).