1-phenylprop-2-enyl (Z)-hex-2-enoate

C15H18O2 — CID 25179403

IUPAC1-phenylprop-2-enyl (Z)-hex-2-enoate
SMILESC=CC(OC(=O)/C=C\CCC)c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-5-7-12-15(16)17-14(4-2)13-10-8-6-9-11-13/h4,6-12,14H,2-3,5H2,1H3/b12-7-
InChIKeyBZXRPLBJZLMKKI-GHXNOFRVSA-N
MW230.31 g/mol
LogP3.81
Rot. Bonds6

About 1-phenylprop-2-enyl (Z)-hex-2-enoate

1-phenylprop-2-enyl (Z)-hex-2-enoate (PubChem CID 25179403) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-phenylprop-2-enyl (Z)-hex-2-enoate.

Molecular Properties

Compound Name1-phenylprop-2-enyl (Z)-hex-2-enoate
PubChem CID25179403
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-phenylprop-2-enyl (Z)-hex-2-enoate
SMILESC=CC(OC(=O)/C=C\CCC)c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-5-7-12-15(16)17-14(4-2)13-10-8-6-9-11-13/h4,6-12,14H,2-3,5H2,1H3/b12-7-
InChIKeyBZXRPLBJZLMKKI-GHXNOFRVSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl hex-2-enoate
CID 3828590
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
1-hydroxyethyl hex-2-enoate
CID 175435147
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
1-(3-methylphenyl)prop-2-enyl hydrogen carbonate
CID 175208386
1-methoxyprop-2-enylbenzene
CID 11029990
[(Z)-hex-2-enoyl] 2-hydroxybenzoate
CID 170323978
1-phenylprop-2-enyl cyclopent-3-ene-1-carboxylate
CID 68786190
methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
CID 11195345
dec-2-enoyl dec-2-enoate;styrene
CID 175333901
1-(4-propan-2-ylphenyl)prop-2-enyl acetate
CID 169084542
benzenecarbothioic S-acid;O-(1-phenylprop-2-enyl) benzenecarbothioate
CID 87327992

Frequently Asked Questions

What is the IUPAC name of 1-phenylprop-2-enyl (Z)-hex-2-enoate?
The IUPAC name of 1-phenylprop-2-enyl (Z)-hex-2-enoate (CID 25179403) is 1-phenylprop-2-enyl (Z)-hex-2-enoate.
What is the SMILES notation for 1-phenylprop-2-enyl (Z)-hex-2-enoate?
The canonical SMILES for 1-phenylprop-2-enyl (Z)-hex-2-enoate is C=CC(OC(=O)/C=C\CCC)c1ccccc1.
What is the InChIKey of 1-phenylprop-2-enyl (Z)-hex-2-enoate?
The InChIKey is BZXRPLBJZLMKKI-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-5-7-12-15(16)17-14(4-2)13-10-8-6-9-11-13/h4,6-12,14H,2-3,5H2,1H3/b12-7-.
What are the key properties of 1-phenylprop-2-enyl (Z)-hex-2-enoate?
1-phenylprop-2-enyl (Z)-hex-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylprop-2-enyl (Z)-hex-2-enoate is sourced from PubChem (CID 25179403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).