ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate

C17H24O2 — CID 11219172

IUPACethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
SMILESCCCCCCc1ccc(/C=C\C(=O)OCC)cc1
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18)19-4-2/h9-14H,3-8H2,1-2H3/b14-13-
InChIKeyMKWGQTSHDPBDKX-YPKPFQOOSA-N
MW260.38 g/mol
LogP4.39
Rot. Bonds8

About ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate

ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate (PubChem CID 11219172) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
PubChem CID11219172
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
SMILESCCCCCCc1ccc(/C=C\C(=O)OCC)cc1
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18)19-4-2/h9-14H,3-8H2,1-2H3/b14-13-
InChIKeyMKWGQTSHDPBDKX-YPKPFQOOSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-hexylphenyl)prop-2-enoate
CID 72756118
methyl (E)-3-[4-(4-heptylphenyl)phenyl]prop-2-enoate
CID 21182316
2-[(E)-3-(4-heptylphenyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate
CID 155639547
4-(4-hexylphenyl)but-3-en-2-one
CID 54408874
methyl (E)-3-[4-(4-pentylphenyl)phenyl]prop-2-enoate
CID 21182474
(E)-3-(4-octylphenyl)prop-2-enoyl chloride
CID 88828475
octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184
(4-hexylphenyl) (E)-3-(4-bromophenyl)prop-2-enoate
CID 6278165
(4-cyanophenyl) 3-(4-octylphenyl)prop-2-enoate
CID 54109812
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
(4-carbamoyl-3-chlorophenyl) 3-(4-heptylphenyl)prop-2-enoate
CID 54185324

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate (CID 11219172) is ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate is CCCCCCc1ccc(/C=C\C(=O)OCC)cc1.
What is the InChIKey of ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate?
The InChIKey is MKWGQTSHDPBDKX-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18)19-4-2/h9-14H,3-8H2,1-2H3/b14-13-.
What are the key properties of ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate?
ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate is sourced from PubChem (CID 11219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).