benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate

C19H20O3 — CID 89249565

IUPACbenzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
SMILESC/C=C\c1ccccc1OCCC(=O)OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-8-17-11-6-7-12-18(17)21-14-13-19(20)22-15-16-9-4-3-5-10-16/h2-12H,13-15H2,1H3/b8-2-
InChIKeyQNJKHBAQRSDZID-WAPJZHGLSA-N
MW296.37 g/mol
LogP4.23
Rot. Bonds7

About benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate

benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate (PubChem CID 89249565) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate.

Molecular Properties

Compound Namebenzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
PubChem CID89249565
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namebenzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
SMILESC/C=C\c1ccccc1OCCC(=O)OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-8-17-11-6-7-12-18(17)21-14-13-19(20)22-15-16-9-4-3-5-10-16/h2-12H,13-15H2,1H3/b8-2-
InChIKeyQNJKHBAQRSDZID-WAPJZHGLSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
benzyl (Z)-hept-5-enoate
CID 163975250
2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
CID 105348895
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
azane;benzyl 3-phenylpropanoate
CID 175136325
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
benzyl 5-(dimethylamino)pentanoate
CID 66632292
benzyl 4-phenylbutanoate
CID 11961623
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate?
The IUPAC name of benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate (CID 89249565) is benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate.
What is the SMILES notation for benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate?
The canonical SMILES for benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate is C/C=C\c1ccccc1OCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate?
The InChIKey is QNJKHBAQRSDZID-WAPJZHGLSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-8-17-11-6-7-12-18(17)21-14-13-19(20)22-15-16-9-4-3-5-10-16/h2-12H,13-15H2,1H3/b8-2-.
What are the key properties of benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate?
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate has a molecular weight of 296.37 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate is sourced from PubChem (CID 89249565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).