methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate

C15H14O3 — CID 101381635

IUPACmethyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate
SMILESCOC(=O)C(O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-18-15(17)14(16)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10,14,16H,1H3/b10-9+
InChIKeyPROIZZAMXFGASA-MDZDMXLPSA-N
MW242.27 g/mol
LogP2.39
Rot. Bonds3

About methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate

methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate (PubChem CID 101381635) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate
PubChem CID101381635
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate
SMILESCOC(=O)C(O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-18-15(17)14(16)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10,14,16H,1H3/b10-9+
InChIKeyPROIZZAMXFGASA-MDZDMXLPSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate?
The IUPAC name of methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate (CID 101381635) is methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate.
What is the SMILES notation for methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate?
The canonical SMILES for methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate is COC(=O)C(O)/C=C/c1cccc2ccccc12.
What is the InChIKey of methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate?
The InChIKey is PROIZZAMXFGASA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-15(17)14(16)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10,14,16H,1H3/b10-9+.
What are the key properties of methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate?
methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate has a molecular weight of 242.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate is sourced from PubChem (CID 101381635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).