benzhydryl 3-phenylprop-2-enoate

C22H18O2 — CID 54186315

IUPACbenzhydryl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(17-16-18-10-4-1-5-11-18)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H
InChIKeyYVTLOZBGPBGGBM-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.03
Rot. Bonds5

About benzhydryl 3-phenylprop-2-enoate

benzhydryl 3-phenylprop-2-enoate (PubChem CID 54186315) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is benzhydryl 3-phenylprop-2-enoate.

Molecular Properties

Compound Namebenzhydryl 3-phenylprop-2-enoate
PubChem CID54186315
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Namebenzhydryl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(17-16-18-10-4-1-5-11-18)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H
InChIKeyYVTLOZBGPBGGBM-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of benzhydryl 3-phenylprop-2-enoate?
The IUPAC name of benzhydryl 3-phenylprop-2-enoate (CID 54186315) is benzhydryl 3-phenylprop-2-enoate.
What is the SMILES notation for benzhydryl 3-phenylprop-2-enoate?
The canonical SMILES for benzhydryl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 3-phenylprop-2-enoate?
The InChIKey is YVTLOZBGPBGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(17-16-18-10-4-1-5-11-18)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H.
What are the key properties of benzhydryl 3-phenylprop-2-enoate?
benzhydryl 3-phenylprop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 3-phenylprop-2-enoate is sourced from PubChem (CID 54186315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).