(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate

C14H11IO2 — CID 130383099

IUPAC(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C14H11IO2/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-14(16)10(2)15/h3-8H,2H2,1H3
InChIKeyDGTODKOYHXGKGV-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.00
Rot. Bonds2

About (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate

(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate (PubChem CID 130383099) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate
PubChem CID130383099
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C14H11IO2/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-14(16)10(2)15/h3-8H,2H2,1H3
InChIKeyDGTODKOYHXGKGV-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate?
The IUPAC name of (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate (CID 130383099) is (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate.
What is the SMILES notation for (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate?
The canonical SMILES for (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate is C=C(I)C(=O)Oc1ccc2cc(C)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate?
The InChIKey is DGTODKOYHXGKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-14(16)10(2)15/h3-8H,2H2,1H3.
What are the key properties of (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate?
(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate has a molecular weight of 338.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate is sourced from PubChem (CID 130383099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).