2-(4-benzylphenyl)ethyl prop-2-enoate

C18H18O2 — CID 18316835

IUPAC2-(4-benzylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-18(19)20-13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyRXJDBBGJXISASI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-benzylphenyl)ethyl prop-2-enoate

2-(4-benzylphenyl)ethyl prop-2-enoate (PubChem CID 18316835) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-benzylphenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-benzylphenyl)ethyl prop-2-enoate
PubChem CID18316835
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(4-benzylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-18(19)20-13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyRXJDBBGJXISASI-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.55
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

benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
CID 171762741
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)ethyl prop-2-enoate?
The IUPAC name of 2-(4-benzylphenyl)ethyl prop-2-enoate (CID 18316835) is 2-(4-benzylphenyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-benzylphenyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-benzylphenyl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenyl)ethyl prop-2-enoate?
The InChIKey is RXJDBBGJXISASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-18(19)20-13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h2-11H,1,12-14H2.
What are the key properties of 2-(4-benzylphenyl)ethyl prop-2-enoate?
2-(4-benzylphenyl)ethyl prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)ethyl prop-2-enoate is sourced from PubChem (CID 18316835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).