ethane;phenyl 3-phenylprop-2-enoate

C19H24O2 — CID 90878305

IUPACethane;phenyl 3-phenylprop-2-enoate
SMILESCC.CC.O=C(C=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H12O2.2C2H6/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;2*1-2/h1-12H;2*1-2H3
InChIKeyHIMQEBQFVPSDCJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.36
Rot. Bonds3

About ethane;phenyl 3-phenylprop-2-enoate

ethane;phenyl 3-phenylprop-2-enoate (PubChem CID 90878305) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethane;phenyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethane;phenyl 3-phenylprop-2-enoate
PubChem CID90878305
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Nameethane;phenyl 3-phenylprop-2-enoate
SMILESCC.CC.O=C(C=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H12O2.2C2H6/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;2*1-2/h1-12H;2*1-2H3
InChIKeyHIMQEBQFVPSDCJ-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541

Frequently Asked Questions

What is the IUPAC name of ethane;phenyl 3-phenylprop-2-enoate?
The IUPAC name of ethane;phenyl 3-phenylprop-2-enoate (CID 90878305) is ethane;phenyl 3-phenylprop-2-enoate.
What is the SMILES notation for ethane;phenyl 3-phenylprop-2-enoate?
The canonical SMILES for ethane;phenyl 3-phenylprop-2-enoate is CC.CC.O=C(C=Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethane;phenyl 3-phenylprop-2-enoate?
The InChIKey is HIMQEBQFVPSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.2C2H6/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;2*1-2/h1-12H;2*1-2H3.
What are the key properties of ethane;phenyl 3-phenylprop-2-enoate?
ethane;phenyl 3-phenylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl 3-phenylprop-2-enoate is sourced from PubChem (CID 90878305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).