benzyl prop-2-enoate;2-phenylethyl prop-2-enoate

C21H22O4 — CID 159252010

IUPACbenzyl prop-2-enoate;2-phenylethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1.C=CC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O2.C10H10O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8-9H2;2-7H,1,8H2
InChIKeyKVKKFNYOTSMLNL-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.87
Rot. Bonds7

About benzyl prop-2-enoate;2-phenylethyl prop-2-enoate

benzyl prop-2-enoate;2-phenylethyl prop-2-enoate (PubChem CID 159252010) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is benzyl prop-2-enoate;2-phenylethyl prop-2-enoate.

Molecular Properties

Compound Namebenzyl prop-2-enoate;2-phenylethyl prop-2-enoate
PubChem CID159252010
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Namebenzyl prop-2-enoate;2-phenylethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1.C=CC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O2.C10H10O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8-9H2;2-7H,1,8H2
InChIKeyKVKKFNYOTSMLNL-UHFFFAOYSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
benzyl prop-2-enoate;(Z)-but-2-enedioic acid;hexyl prop-2-enoate
CID 70274050
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
CID 171762741
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634

Frequently Asked Questions

What is the IUPAC name of benzyl prop-2-enoate;2-phenylethyl prop-2-enoate?
The IUPAC name of benzyl prop-2-enoate;2-phenylethyl prop-2-enoate (CID 159252010) is benzyl prop-2-enoate;2-phenylethyl prop-2-enoate.
What is the SMILES notation for benzyl prop-2-enoate;2-phenylethyl prop-2-enoate?
The canonical SMILES for benzyl prop-2-enoate;2-phenylethyl prop-2-enoate is C=CC(=O)OCCc1ccccc1.C=CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl prop-2-enoate;2-phenylethyl prop-2-enoate?
The InChIKey is KVKKFNYOTSMLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C10H10O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8-9H2;2-7H,1,8H2.
What are the key properties of benzyl prop-2-enoate;2-phenylethyl prop-2-enoate?
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate has a molecular weight of 338.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl prop-2-enoate;2-phenylethyl prop-2-enoate is sourced from PubChem (CID 159252010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).