methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate

C17H16O4 — CID 118992954

IUPACmethyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
SMILESC=Cc1cc(O)c(OCc2ccccc2)c(C(=O)OC)c1
InChIInChI=1S/C17H16O4/c1-3-12-9-14(17(19)20-2)16(15(18)10-12)21-11-13-7-5-4-6-8-13/h3-10,18H,1,11H2,2H3
InChIKeyMBZVJNSFMLOIMH-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.40
Rot. Bonds5

About methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate

methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate (PubChem CID 118992954) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
PubChem CID118992954
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
SMILESC=Cc1cc(O)c(OCc2ccccc2)c(C(=O)OC)c1
InChIInChI=1S/C17H16O4/c1-3-12-9-14(17(19)20-2)16(15(18)10-12)21-11-13-7-5-4-6-8-13/h3-10,18H,1,11H2,2H3
InChIKeyMBZVJNSFMLOIMH-UHFFFAOYSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-[3,6-bis(methoxycarbonyl)-2-phenylmethoxynaphthalen-1-yl]-3-phenylmethoxynaphthalene-2,7-dicarboxylate
CID 20755865
methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
CID 10041568
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
3-O-benzyl 1-O-methyl 5-ethenyl-4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 123907791
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 5-bromo-2,4-bis(phenylmethoxy)-3-(tritert-butylsilyloxymethyl)benzoate
CID 123962491

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate?
The IUPAC name of methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate (CID 118992954) is methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate.
What is the SMILES notation for methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate?
The canonical SMILES for methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate is C=Cc1cc(O)c(OCc2ccccc2)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate?
The InChIKey is MBZVJNSFMLOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-12-9-14(17(19)20-2)16(15(18)10-12)21-11-13-7-5-4-6-8-13/h3-10,18H,1,11H2,2H3.
What are the key properties of methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate?
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate is sourced from PubChem (CID 118992954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).