methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate

C19H18O4 — CID 11045115

IUPACmethyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate
SMILESC=C(Cc1cccc(C(=O)OC)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H18O4/c1-14(18(20)23-13-15-7-4-3-5-8-15)11-16-9-6-10-17(12-16)19(21)22-2/h3-10,12H,1,11,13H2,2H3
InChIKeyHIAOFABKUGZKEG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.32
Rot. Bonds6

About methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate

methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate (PubChem CID 11045115) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate
PubChem CID11045115
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate
SMILESC=C(Cc1cccc(C(=O)OC)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H18O4/c1-14(18(20)23-13-15-7-4-3-5-8-15)11-16-9-6-10-17(12-16)19(21)22-2/h3-10,12H,1,11,13H2,2H3
InChIKeyHIAOFABKUGZKEG-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 2-benzylprop-2-enoate
CID 575761
dimethyl benzene-1,3-dicarboxylate;1-phenylpropan-2-one
CID 174735167
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
benzyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 155731050
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 3-aminobenzoate;methanol
CID 142867139
(E)-4-(3-methoxycarbonylphenyl)-3-methylbut-2-enoic acid
CID 67693748
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate?
The IUPAC name of methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate (CID 11045115) is methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate.
What is the SMILES notation for methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate?
The canonical SMILES for methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate is C=C(Cc1cccc(C(=O)OC)c1)C(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate?
The InChIKey is HIAOFABKUGZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-14(18(20)23-13-15-7-4-3-5-8-15)11-16-9-6-10-17(12-16)19(21)22-2/h3-10,12H,1,11,13H2,2H3.
What are the key properties of methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate?
methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate is sourced from PubChem (CID 11045115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).