(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate

C15H14O3 — CID 126550127

IUPAC(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc2cc(O)ccc12
InChIInChI=1S/C15H14O3/c1-10(2)15(17)18-9-12-5-3-4-11-8-13(16)6-7-14(11)12/h3-8,16H,1,9H2,2H3
InChIKeyBCNSFZNRFSOZNI-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.16
Rot. Bonds3

About (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate

(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 126550127) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
PubChem CID126550127
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc2cc(O)ccc12
InChIInChI=1S/C15H14O3/c1-10(2)15(17)18-9-12-5-3-4-11-8-13(16)6-7-14(11)12/h3-8,16H,1,9H2,2H3
InChIKeyBCNSFZNRFSOZNI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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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Related Compounds

(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
(6-methylnaphthalen-1-yl)methyl acetate
CID 13499502
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
2-methylprop-2-enoyloxymethyl 6,7-dihydroxynaphthalene-1-carboxylate
CID 129174183
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
CID 118331656
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796

Frequently Asked Questions

What is the IUPAC name of (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate (CID 126550127) is (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc2cc(O)ccc12.
What is the InChIKey of (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is BCNSFZNRFSOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(2)15(17)18-9-12-5-3-4-11-8-13(16)6-7-14(11)12/h3-8,16H,1,9H2,2H3.
What are the key properties of (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate?
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 126550127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).