methyl 2-(3-phenoxyprop-1-enyl)benzoate

C17H16O3 — CID 67414986

IUPACmethyl 2-(3-phenoxyprop-1-enyl)benzoate
SMILESCOC(=O)c1ccccc1C=CCOc1ccccc1
InChIInChI=1S/C17H16O3/c1-19-17(18)16-12-6-5-8-14(16)9-7-13-20-15-10-3-2-4-11-15/h2-12H,13H2,1H3
InChIKeyVFZPWCODTNDPHR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.57
Rot. Bonds5

About methyl 2-(3-phenoxyprop-1-enyl)benzoate

methyl 2-(3-phenoxyprop-1-enyl)benzoate (PubChem CID 67414986) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-(3-phenoxyprop-1-enyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-phenoxyprop-1-enyl)benzoate
PubChem CID67414986
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 2-(3-phenoxyprop-1-enyl)benzoate
SMILESCOC(=O)c1ccccc1C=CCOc1ccccc1
InChIInChI=1S/C17H16O3/c1-19-17(18)16-12-6-5-8-14(16)9-7-13-20-15-10-3-2-4-11-15/h2-12H,13H2,1H3
InChIKeyVFZPWCODTNDPHR-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541
1-methyl-2-(3-phenoxyprop-1-enyl)benzene
CID 174574360
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144
methyl 2-[(Z)-4-methoxy-3,4-dioxobut-1-enyl]benzoate
CID 11708584
methyl 2-[(E)-3-(2-nitrophenyl)prop-1-enyl]benzoate
CID 68691464
methyl 2-(4-methoxybut-2-enoxy)benzoate
CID 54063780
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023
methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
CID 15532242

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenoxyprop-1-enyl)benzoate?
The IUPAC name of methyl 2-(3-phenoxyprop-1-enyl)benzoate (CID 67414986) is methyl 2-(3-phenoxyprop-1-enyl)benzoate.
What is the SMILES notation for methyl 2-(3-phenoxyprop-1-enyl)benzoate?
The canonical SMILES for methyl 2-(3-phenoxyprop-1-enyl)benzoate is COC(=O)c1ccccc1C=CCOc1ccccc1.
What is the InChIKey of methyl 2-(3-phenoxyprop-1-enyl)benzoate?
The InChIKey is VFZPWCODTNDPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-17(18)16-12-6-5-8-14(16)9-7-13-20-15-10-3-2-4-11-15/h2-12H,13H2,1H3.
What are the key properties of methyl 2-(3-phenoxyprop-1-enyl)benzoate?
methyl 2-(3-phenoxyprop-1-enyl)benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenoxyprop-1-enyl)benzoate is sourced from PubChem (CID 67414986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).