methyl (Z)-2-benzyl-3-phenylprop-2-enoate

C17H16O2 — CID 6382003

IUPACmethyl (Z)-2-benzyl-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12-
InChIKeyRZNVZSGZYXHKNQ-VBKFSLOCSA-N
MW252.31 g/mol
LogP3.49
Rot. Bonds4

About methyl (Z)-2-benzyl-3-phenylprop-2-enoate

methyl (Z)-2-benzyl-3-phenylprop-2-enoate (PubChem CID 6382003) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl (Z)-2-benzyl-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzyl-3-phenylprop-2-enoate
PubChem CID6382003
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl (Z)-2-benzyl-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12-
InChIKeyRZNVZSGZYXHKNQ-VBKFSLOCSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.49
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 methyl (Z)-2-benzyl-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-benzyl-3-phenylprop-2-enoate (CID 6382003) is methyl (Z)-2-benzyl-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-benzyl-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-benzyl-3-phenylprop-2-enoate is COC(=O)/C(=C\c1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (Z)-2-benzyl-3-phenylprop-2-enoate?
The InChIKey is RZNVZSGZYXHKNQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12-.
What are the key properties of methyl (Z)-2-benzyl-3-phenylprop-2-enoate?
methyl (Z)-2-benzyl-3-phenylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzyl-3-phenylprop-2-enoate is sourced from PubChem (CID 6382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).