[(Z)-3-phenylhex-3-enyl] prop-2-enoate

C15H18O2 — CID 142724131

IUPAC[(Z)-3-phenylhex-3-enyl] prop-2-enoate
SMILESC=CC(=O)OCC/C(=C/CC)c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-8-13(11-12-17-15(16)4-2)14-9-6-5-7-10-14/h4-10H,2-3,11-12H2,1H3/b13-8-
InChIKeyMEQAHQPFVCOMCV-JYRVWZFOSA-N
MW230.31 g/mol
LogP3.60
Rot. Bonds6

About [(Z)-3-phenylhex-3-enyl] prop-2-enoate

[(Z)-3-phenylhex-3-enyl] prop-2-enoate (PubChem CID 142724131) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(Z)-3-phenylhex-3-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(Z)-3-phenylhex-3-enyl] prop-2-enoate
PubChem CID142724131
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(Z)-3-phenylhex-3-enyl] prop-2-enoate
SMILESC=CC(=O)OCC/C(=C/CC)c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-8-13(11-12-17-15(16)4-2)14-9-6-5-7-10-14/h4-10H,2-3,11-12H2,1H3/b13-8-
InChIKeyMEQAHQPFVCOMCV-JYRVWZFOSA-N
XLogP3.60
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 ≤ 53.60
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

[(Z)-3-chloro-4-phenylbut-3-enyl] prop-2-enoate
CID 141217018
methanol;prop-2-enoic acid;propyl benzoate
CID 141098726
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate
CID 151965327
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
benzyl-(3-prop-2-enoyloxypropyl)-dipropylazanium chloride
CID 87837686
butyl prop-2-enoate;1,2-xylene
CID 70409011
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
[(Z)-non-3-en-4-yl]benzene
CID 101008148

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?
The IUPAC name of [(Z)-3-phenylhex-3-enyl] prop-2-enoate (CID 142724131) is [(Z)-3-phenylhex-3-enyl] prop-2-enoate.
What is the SMILES notation for [(Z)-3-phenylhex-3-enyl] prop-2-enoate?
The canonical SMILES for [(Z)-3-phenylhex-3-enyl] prop-2-enoate is C=CC(=O)OCC/C(=C/CC)c1ccccc1.
What is the InChIKey of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?
The InChIKey is MEQAHQPFVCOMCV-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-8-13(11-12-17-15(16)4-2)14-9-6-5-7-10-14/h4-10H,2-3,11-12H2,1H3/b13-8-.
What are the key properties of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?
[(Z)-3-phenylhex-3-enyl] prop-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylhex-3-enyl] prop-2-enoate is sourced from PubChem (CID 142724131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).