methyl 2-naphthalen-2-yl-2-phenoxyacetate

C19H16O3 — CID 134963140

IUPACmethyl 2-naphthalen-2-yl-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O3/c1-21-19(20)18(22-17-9-3-2-4-10-17)16-12-11-14-7-5-6-8-15(14)13-16/h2-13,18H,1H3
InChIKeyDXDHTCPPMDEFGD-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.13
Rot. Bonds4

About methyl 2-naphthalen-2-yl-2-phenoxyacetate

methyl 2-naphthalen-2-yl-2-phenoxyacetate (PubChem CID 134963140) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-naphthalen-2-yl-2-phenoxyacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-yl-2-phenoxyacetate
PubChem CID134963140
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namemethyl 2-naphthalen-2-yl-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O3/c1-21-19(20)18(22-17-9-3-2-4-10-17)16-12-11-14-7-5-6-8-15(14)13-16/h2-13,18H,1H3
InChIKeyDXDHTCPPMDEFGD-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-yl-2-phenoxyacetate?
The IUPAC name of methyl 2-naphthalen-2-yl-2-phenoxyacetate (CID 134963140) is methyl 2-naphthalen-2-yl-2-phenoxyacetate.
What is the SMILES notation for methyl 2-naphthalen-2-yl-2-phenoxyacetate?
The canonical SMILES for methyl 2-naphthalen-2-yl-2-phenoxyacetate is COC(=O)C(Oc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-naphthalen-2-yl-2-phenoxyacetate?
The InChIKey is DXDHTCPPMDEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-19(20)18(22-17-9-3-2-4-10-17)16-12-11-14-7-5-6-8-15(14)13-16/h2-13,18H,1H3.
What are the key properties of methyl 2-naphthalen-2-yl-2-phenoxyacetate?
methyl 2-naphthalen-2-yl-2-phenoxyacetate has a molecular weight of 292.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-2-yl-2-phenoxyacetate is sourced from PubChem (CID 134963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).