benzyl 2-(3-prop-2-enylphenyl)propanoate

C19H20O2 — CID 70399092

IUPACbenzyl 2-(3-prop-2-enylphenyl)propanoate
SMILESC=CCc1cccc(C(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H20O2/c1-3-8-16-11-7-12-18(13-16)15(2)19(20)21-14-17-9-5-4-6-10-17/h3-7,9-13,15H,1,8,14H2,2H3
InChIKeyNYWGIVRJKPVLEP-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.26
Rot. Bonds6

About benzyl 2-(3-prop-2-enylphenyl)propanoate

benzyl 2-(3-prop-2-enylphenyl)propanoate (PubChem CID 70399092) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is benzyl 2-(3-prop-2-enylphenyl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(3-prop-2-enylphenyl)propanoate
PubChem CID70399092
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namebenzyl 2-(3-prop-2-enylphenyl)propanoate
SMILESC=CCc1cccc(C(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H20O2/c1-3-8-16-11-7-12-18(13-16)15(2)19(20)21-14-17-9-5-4-6-10-17/h3-7,9-13,15H,1,8,14H2,2H3
InChIKeyNYWGIVRJKPVLEP-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyloxyethyl 2-(3-prop-2-enylphenyl)propanoate
CID 58973689
(3-cyanophenyl)methyl 2-phenylpropanoate
CID 175581307
benzyl 2-methylhex-5-enoate
CID 14713099
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
benzyl (2S)-2-aminopropanoate
CID 726858
(2R)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 66844802
propan-2-amine;prop-2-enylbenzene
CID 66809896
(4-nitrocarbonylphenyl)methyl (2S)-2-(3-benzoylphenyl)propanoate
CID 87844841

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-prop-2-enylphenyl)propanoate?
The IUPAC name of benzyl 2-(3-prop-2-enylphenyl)propanoate (CID 70399092) is benzyl 2-(3-prop-2-enylphenyl)propanoate.
What is the SMILES notation for benzyl 2-(3-prop-2-enylphenyl)propanoate?
The canonical SMILES for benzyl 2-(3-prop-2-enylphenyl)propanoate is C=CCc1cccc(C(C)C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-(3-prop-2-enylphenyl)propanoate?
The InChIKey is NYWGIVRJKPVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-8-16-11-7-12-18(13-16)15(2)19(20)21-14-17-9-5-4-6-10-17/h3-7,9-13,15H,1,8,14H2,2H3.
What are the key properties of benzyl 2-(3-prop-2-enylphenyl)propanoate?
benzyl 2-(3-prop-2-enylphenyl)propanoate has a molecular weight of 280.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-prop-2-enylphenyl)propanoate is sourced from PubChem (CID 70399092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).