methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate

C15H14O3 — CID 12996899

IUPACmethyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14O3/c1-10(15(17)18-2)14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,1H2,2H3
InChIKeyNFDFHJSAQMXAGE-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate

methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate (PubChem CID 12996899) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate
PubChem CID12996899
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14O3/c1-10(15(17)18-2)14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,1H2,2H3
InChIKeyNFDFHJSAQMXAGE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate (CID 12996899) is methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate?
The InChIKey is NFDFHJSAQMXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(15(17)18-2)14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,1H2,2H3.
What are the key properties of methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate?
methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy(naphthalen-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 12996899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).