(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate

C24H18O2 — CID 67218834

IUPAC(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H18O2/c1-16(2)24(25)26-22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,1H2,2H3
InChIKeyKXZPAZPMIUWLIT-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.14
Rot. Bonds3

About (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate

(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate (PubChem CID 67218834) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
PubChem CID67218834
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H18O2/c1-16(2)24(25)26-22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,1H2,2H3
InChIKeyKXZPAZPMIUWLIT-UHFFFAOYSA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54525389
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
CID 139754686
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 59476831
[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141213941
[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
CID 122370151
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate (CID 67218834) is (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate?
The InChIKey is KXZPAZPMIUWLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-16(2)24(25)26-22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,1H2,2H3.
What are the key properties of (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate?
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate has a molecular weight of 338.41 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 67218834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).